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Murcko scaffold

3,6-Diazabicyclo[3.1.1]heptane scaffold

39 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
7
Chemicals
39
With full pages
7
Scaffold SMILES

C1NCC2CC1N2

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 3,6-Diazabicyclo[3.1.1]heptane page
Murcko scaffold C1NCC2CC1N2

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 39 of 39 chemicals

3,6-Diazabicyclo[3.1.1]heptane chemical structure, C5H10N2, CAS 421554-68-9
3,6-Diazabicyclo[3.1.1]heptane
CAS 421554-68-9C5H10N2
3-Methyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C6H12N2, CAS 1059700-16-1
3-Methyl-3,6-diazabicyclo[3.1.1]heptane
CAS 1059700-16-1C6H12N2
6-Methyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C6H12N2, CAS 1538734-96-1
6-Methyl-3,6-diazabicyclo[3.1.1]heptane
CAS 1538734-96-1C6H12N2
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate chemical structure, C10H18N2O2, CAS 1251017-66-9
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
CAS 1251017-66-9C10H18N2O2
1-{3,6-Diazabicyclo[3.1.1]heptan-3-yl}ethan-1-one chemical structure, C7H12N2O, CAS 1310717-00-0
1-{3,6-Diazabicyclo[3.1.1]heptan-3-yl}ethan-1-one
CAS 1310717-00-0C7H12N2O
tert-Butyl 3,6-diazabicyclo(3.1.1)heptane-6-carboxylate chemical structure, C10H18N2O2, CAS 869494-16-6
tert-Butyl 3,6-diazabicyclo(3.1.1)heptane-6-carboxylate
CAS 869494-16-6C10H18N2O2
1-(3,6-Diazabicyclo[3.1.1]heptan-6-yl)propan-1-one chemical structure, C8H14N2O, CAS 869494-18-8
1-(3,6-Diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CAS 869494-18-8C8H14N2O
3-Ethyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C7H14N2, CAS 1532561-55-9
3-Ethyl-3,6-diazabicyclo[3.1.1]heptane
CAS 1532561-55-9C7H14N2
tert-Butyl 3,6-diazabicyclo(3.1.1)heptane-6-carboxylate hydrochloride chemical structure, C10H19ClN2O2, CAS 1384424-52-5
tert-Butyl 3,6-diazabicyclo(3.1.1)heptane-6-carboxylate hydrochloride
CAS 1384424-52-5C10H19ClN2O2
1-{3,6-Diazabicyclo[3.1.1]heptan-6-yl}ethan-1-one chemical structure, C7H12N2O, CAS 1474024-25-3
1-{3,6-Diazabicyclo[3.1.1]heptan-6-yl}ethan-1-one
CAS 1474024-25-3C7H12N2O
(6-Methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)acetic acid chemical structure, C8H14N2O2, CAS 1781589-74-9
(6-Methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)acetic acid
CAS 1781589-74-9C8H14N2O2
3-(tert-Butoxycarbonyl)-6-(trifluoromethylcarbonyl)-3,6-diazabicyclo[3.1.1]heptane chemical structure, C12H17F3N2O3, CAS 1310718-99-0
3-(tert-Butoxycarbonyl)-6-(trifluoromethylcarbonyl)-3,6-diazabicyclo[3.1.1]heptane
CAS 1310718-99-0C12H17F3N2O3
3-Methyl-3,6-diazabicyclo[3.1.1]heptane, bis(trifluoroacetic acid) chemical structure, C10H14F6N2O4, CAS 1059700-17-2
3-Methyl-3,6-diazabicyclo[3.1.1]heptane, bis(trifluoroacetic acid)
CAS 1059700-17-2C10H14F6N2O4
1-[(1S,5R)-3,6-Diazabicyclo[3.1.1]heptan-3-yl]propan-1-one chemical structure, C8H14N2O, CAS 869494-20-2
1-[(1S,5R)-3,6-Diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CAS 869494-20-2C8H14N2O
3,6-Di-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3,6-dicarboxylate chemical structure, C15H26N2O4, CAS 1934831-18-1
3,6-Di-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3,6-dicarboxylate
CAS 1934831-18-1C15H26N2O4
tert-Butyl 3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate chemical structure, C11H20N2O2, CAS 1059700-89-8
tert-Butyl 3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CAS 1059700-89-8C11H20N2O2
6-Methyl-3,6-diazabicyclo[3.1.1]heptane trifluoroacetate chemical structure, C8H13F3N2O2, CAS 1638771-17-1
6-Methyl-3,6-diazabicyclo[3.1.1]heptane trifluoroacetate
CAS 1638771-17-1C8H13F3N2O2
6-Isopropyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C8H16N2, CAS 2648686-37-5
6-Isopropyl-3,6-diazabicyclo[3.1.1]heptane
CAS 2648686-37-5C8H16N2
3-Methyl-3,6-diazabicyclo(3.1.1)heptane dihydrochloride chemical structure, C6H14Cl2N2, CAS 2089649-86-3
3-Methyl-3,6-diazabicyclo(3.1.1)heptane dihydrochloride
CAS 2089649-86-3C6H14Cl2N2
3-Methanesulfonyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C6H12N2O2S, CAS 2167170-14-9
3-Methanesulfonyl-3,6-diazabicyclo[3.1.1]heptane
CAS 2167170-14-9C6H12N2O2S
6-Methylsulfonyl-3,6-diazabicyclo[3.1.1]heptane chemical structure, C6H12N2O2S, CAS 2166667-61-2
6-Methylsulfonyl-3,6-diazabicyclo[3.1.1]heptane
CAS 2166667-61-2C6H12N2O2S
6-Methyl-3,6-diazabicyclo(3.1.1)heptane dihydrochloride chemical structure, C6H14Cl2N2, CAS 2231676-00-7
6-Methyl-3,6-diazabicyclo(3.1.1)heptane dihydrochloride
CAS 2231676-00-7C6H14Cl2N2
3,6-Diazabicyclo[3.1.1]heptane, hydrochloride chemical structure, C5H11ClN2, CAS 2250242-19-2
3,6-Diazabicyclo[3.1.1]heptane, hydrochloride
CAS 2250242-19-2C5H11ClN2
7IW7WG4Fob chemical structure, C7H12N2O2, CAS 1780518-27-5
7IW7WG4Fob
CAS 1780518-27-5C7H12N2O2