Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9068087

Structure

InChI Key LUVGCXAXOHXTEI-UHFFFAOYSA-N
Smiles C1CCCCCc2ncoc2CCCC1
InChI
InChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N1O1
Molecular Weight 207.16
AlogP 3.89
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 38303-23-0
NORMAN SUSDAT
PubChem 162297
ChemSpider 142519.0