tert-butyl 4-(3-azanylpropyl)-1,4-diazepane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-9-5-8-15(10-11-16)7-4-6-14/h4-11,14H2,1-3H3