2-methylpropyl 4-(4-azanylbutyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-(4-azanylbutyl)-1,4-diazepane-1-carboxylate Openeye Name: isobutyl 4-(4-aminobutyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-aminobutyl)-1,4-diazepane-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-aminobutyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-aminobutyl)-1,4-diazepane-1-carboxylic acid isobutyl ester Formula: C14H29N3O2 MolecularWeight: 271.39896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCCN(CC1)CCCCN

Isomeric SMILES

CC(C)COC(=O)N1CCCN(CC1)CCCCN

InChI

InChI=1S/C14H29N3O2/c1-13(2)12-19-14(18)17-9-5-8-16(10-11-17)7-4-3-6-15/h13H,3-12,15H2,1-2H3