Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B46ZZS7JCD
EPA CompTox DTXSID8060618

Structure

InChI Key FZPXKEPZZOEPGX-UHFFFAOYSA-N
Smiles CCCCN(CCCC)c1ccccc1
InChI
InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H23N1
Molecular Weight 205.18
AlogP 4.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 3.24
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 613-29-6
NORMAN SUSDAT
FDA SRS B46ZZS7JCD
PubChem 61154
ChemSpider 55101.0