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Murcko scaffold

Hexahydro-1,4-diazepine scaffold

724 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
7
Chemicals
724
With full pages
116
Scaffold SMILES

C1CNCCNC1

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. This is a very common single ring, so the list below is broad.

Substructure search with this scaffoldOpen the Hexahydro-1,4-diazepine page
Murcko scaffold C1CNCCNC1

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 48 of 724 chemicals

1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl- chemical structure, C10H22N2, CAS 20430-59-5
1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
CAS 20430-59-5C10H22N2
Hexahydro-1,4-dinitroso-1H-1,4-diazepine chemical structure, C5H10N4O2, CAS 55557-00-1
Hexahydro-1,4-dinitroso-1H-1,4-diazepine
CAS 55557-00-1C5H10N4O2
Hexahydro-1,4-diazepine chemical structure, C5H12N2, CAS 505-66-8
Hexahydro-1,4-diazepine
CAS 505-66-8C5H12N2
Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol chemical structure, C11H24N2O2, CAS 19970-80-0
Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
CAS 19970-80-0C11H24N2O2
4-Methyl-1-homopiperazinedithiocarboxylic acid chemical structure, C7H14N2S2, CAS 26865-04-3
4-Methyl-1-homopiperazinedithiocarboxylic acid
CAS 26865-04-3C7H14N2S2
Guanidine, (2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, sulfate chemical structure, C9H23N5O4S, CAS 2779-60-4
Guanidine, (2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)ethyl)-, sulfate
CAS 2779-60-4C9H23N5O4S
1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- chemical structure, C9H18N2S2, CAS 29053-32-5
1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-
CAS 29053-32-5C9H18N2S2
1-Methylhomopiperazine chemical structure, C6H14N2, CAS 4318-37-0
1-Methylhomopiperazine
CAS 4318-37-0C6H14N2
2-(4-Methyl-1,4-diazepan-1-yl)ethanol chemical structure, C8H18N2O, CAS 59039-64-4
2-(4-Methyl-1,4-diazepan-1-yl)ethanol
CAS 59039-64-4C8H18N2O
1,1'-(1,4-Diazepane-1,4-diyl)bis(3-bromopropan-1-one) chemical structure, C11H18Br2N2O2, CAS 50283-97-1
1,1'-(1,4-Diazepane-1,4-diyl)bis(3-bromopropan-1-one)
CAS 50283-97-1C11H18Br2N2O2
1,4-Dimethylhomopiperazine chemical structure, C7H16N2, CAS 61134-91-6
1,4-Dimethylhomopiperazine
CAS 61134-91-6C7H16N2
1-Octyl-1,4-diazepane chemical structure, C13H28N2, CAS 54256-47-2
1-Octyl-1,4-diazepane
CAS 54256-47-2C13H28N2
1,4-Dihexadecyl-1,4-diazepane chemical structure, C37H76N2, CAS 21148-98-1
1,4-Dihexadecyl-1,4-diazepane
CAS 21148-98-1C37H76N2
1,4-Dioctadecyl-1,4-diazepane chemical structure, C41H84N2, CAS 21148-99-2
1,4-Dioctadecyl-1,4-diazepane
CAS 21148-99-2C41H84N2
1,4-Ditetradecyl-1,4-diazepane chemical structure, C33H68N2, CAS 21148-97-0
1,4-Ditetradecyl-1,4-diazepane
CAS 21148-97-0C33H68N2
Ethyl 4-methyl-1,4-diazepane-1-carboxylate chemical structure, C9H18N2O2, CAS 18739-40-7
Ethyl 4-methyl-1,4-diazepane-1-carboxylate
CAS 18739-40-7C9H18N2O2
1,1,4,4-Tetramethyl-1,4-diazepane-1,4-diium chemical structure, C9H22N2+2
1,1,4,4-Tetramethyl-1,4-diazepane-1,4-diium
C9H22N2+2
1-Nitroso-1,4-diazepane chemical structure, C5H11N3O, CAS 72782-14-0
1-Nitroso-1,4-diazepane
CAS 72782-14-0C5H11N3O
6-Methyl-1,4-diazepane chemical structure, C6H14N2, CAS 89582-17-2
6-Methyl-1,4-diazepane
CAS 89582-17-2C6H14N2
[1,4]Diazepane-1,4-disulfonic acid bis-dimethylamide chemical structure, C9H22N4O4S2, CAS 797773-17-2
[1,4]Diazepane-1,4-disulfonic acid bis-dimethylamide
CAS 797773-17-2C9H22N4O4S2
tert-Butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate chemical structure, C12H24N2O3, CAS 606931-01-5
tert-Butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CAS 606931-01-5C12H24N2O3
1-(3-Chloropropyl)-1,4-diazepane chemical structure, C8H17ClN2, CAS 164332-25-6
1-(3-Chloropropyl)-1,4-diazepane
CAS 164332-25-6C8H17ClN2
2-(1,4-Diazepan-1-yl)ethan-1-ol chemical structure, C7H16N2O, CAS 53427-65-9
2-(1,4-Diazepan-1-yl)ethan-1-ol
CAS 53427-65-9C7H16N2O
tert-Butyl 1,4-diazepane-1-carboxylate Hydrochloride chemical structure, C10H21ClN2O2, CAS 1049743-87-4
tert-Butyl 1,4-diazepane-1-carboxylate Hydrochloride
CAS 1049743-87-4C10H21ClN2O2