Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GWN4MHH6UN
EPA CompTox DTXSID20180414

Structure

InChI Key KAXVRMIUQJXONY-UHFFFAOYSA-N
Smiles CCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16-14-12-15/h2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H29N1O1
Molecular Weight 227.22
AlogP 3.46
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 12.47
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 25727-94-0
NORMAN SUSDAT
FDA SRS GWN4MHH6UN
PubChem 117617
ChemSpider 105106.0