Molecular Identity
N1-Acetylspermidine
N-[3-(4-aminobutylamino)propyl]acetamide
PubChem CID: 496
N(1)-acetylspermidine 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+).
2D Structure
Properties
C9H21N3O
Molecular Formula
187.28
Molecular Weight
g/mol
187.1685
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
67.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
128
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NCCCNCCCCNIsomeric SMILES
SMILES: CC(=O)NCCCNCCCCNSynonyms(20)
N1-Acetylspermidine14278-49-0N(1)-AcetylspermidineN-(3-((4-Aminobutyl)amino)propyl)acetamide1-N-AcetylspermidineN-AcetylspermidineN-{3-[(4-aminobutyl)amino]propyl}acetamideAcetamide, N-[3-[(4-aminobutyl)amino]propyl]-DJ8JN32D6YCHEBI:17927DTXSID80162175Acetamide, N-(3-((4-aminobutyl)amino)propyl)-N-[3-[(4-Aminobutyl)amino]propyl]acetamideRefChem:927372DTXCID8084666
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to N1-Acetylspermidine
Loading drug network...