2-methylpropyl 4-(5-azanylpentyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-(5-azanylpentyl)-1,4-diazepane-1-carboxylate Openeye Name: isobutyl 4-(5-aminopentyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-aminopentyl)-1,4-diazepane-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(5-aminopentyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-aminopentyl)-1,4-diazepane-1-carboxylic acid isobutyl ester Formula: C15H31N3O2 MolecularWeight: 285.42554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N3O2/c1-14(2)13-20-15(19)18-10-6-9-17(11-12-18)8-5-3-4-7-16/h14H,3-13,16H2,1-2H3