1-[4-(4-azanylbutyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(4-azanylbutyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C15H31N3O MolecularWeight: 269.42614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N3O/c1-15(2,3)13-14(19)18-10-6-9-17(11-12-18)8-5-4-7-16/h4-13,16H2,1-3H3