Molecule ID: 496

IUPAC Name: N-[3-(4-aminobutylamino)propyl]acetamide

Description: The molecule is an acetylspermidine having the acetyl group at the N1-position. It has a role as a metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(1)-acetylspermidinium(2+).

SMILES: CC(O)=NCCCNCCCCN

SELFIES: [C][C][Branch1][C][O][=N][C][C][C][N][C][C][C][C][N]

InChI: InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 67.2 Ų
- LogP: -0.8