2-methylpropyl 4-(3-azanylpropyl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-(3-azanylpropyl)-1,4-diazepane-1-carboxylate Openeye Name: isobutyl 4-(3-aminopropyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-aminopropyl)-1,4-diazepane-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-aminopropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-aminopropyl)-1,4-diazepane-1-carboxylic acid isobutyl ester Formula: C13H27N3O2 MolecularWeight: 257.37238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O2/c1-12(2)11-18-13(17)16-8-4-7-15(9-10-16)6-3-5-14/h12H,3-11,14H2,1-2H3