Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key VVGZJWNIRHLKRB-UHFFFAOYSA-N
Smiles O=C1COC(=NC2CCCCC2)N1C1CCCCC1
InChI
InChI=1S/C15H24N2O2/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h12-13H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24N2O2
Molecular Weight 264.18
AlogP 2.87
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 41.9
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 35877-42-0
NORMAN SUSDAT
PubChem 4177469
ChemSpider 3388651.0