1-[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-2-methyl-butan-1-one

Systemtic Name: 1-[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methyl-1-butanone IUPAC Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methyl-butan-1-one Formula: C13H27N3O MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCCN(CC1)CCCN

Isomeric SMILES

CCC(C)C(=O)N1CCCN(CC1)CCCN

InChI

InChI=1S/C13H27N3O/c1-3-12(2)13(17)16-9-5-8-15(10-11-16)7-4-6-14/h12H,3-11,14H2,1-2H3