7-(N-(3-Aminopropyl)amino)heptan-2-one

HCID 129689

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Basic information

CAS: 122269-09-4
Standard SMILES: CC(=O)CCCCCNCCCN
InChIKey: IINWDBQBGSUBQT-UHFFFAOYSA-N
Molecular formula: C10H22N2O
Average molar mass: 186.29 g/mol
Monoisotopic mass: 186.17321333

Overview

inhibits N(8)-acetylspermidine deacetylation in mice

Names & identifiers

Preferred name: 7-(N-(3-Aminopropyl)amino)heptan-2-one
IUPAC: 7-(3-aminopropylamino)heptan-2-one
English name: 7-(N-(3-aminopropyl)amino)heptan-2-one
Molecular formula: C10H22N2O
Molecular weight: 186.29

Names & synonyms

APAH122269-09-47-(N-(3-Aminopropyl)amino)heptan-2-oneDTXSID701535577-[N-(3-Aminopropyl)amino]heptan-2-oneRefChem:105746DTXCID5076048CHEMBL173782CHEMBL24140087-[(3-AMINOPROPYL)AMINO]HEPTAN-2-ONESCHEMBL12409526BDBM50405937

Show more names

2-Heptanone, 7-[(3-aminopropyl)amino]-

2-Heptanone, 7-((3-aminopropyl)amino)-

Database identifiers

CAS: 122269-09-4
PubChem CID: 129689
DTXSID: DTXSID70153557
ChEMBL: CHEMBL173782
Nikkaji: J1.107.214C

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 126

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