Molecule ID: 123689

IUPAC Name: N-[4-(3-aminopropylamino)butyl]acetamide

Description: The molecule is an acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group. It has a role as a human metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(8)-acetylspermidinium(2+).

SMILES: CC(O)=NCCCCNCCCN

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

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

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