Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WC4Z2H2A28
EPA CompTox DTXSID90205784

Structure

InChI Key NHEGWEFANYLMRA-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCC1=NCCN1CCN
InChI
InChI=1S/C18H37N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-20-15-17-21(18)16-14-19/h2-17,19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37N3
Molecular Weight 295.3
AlogP 4.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 41.62
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 57151-50-5
NORMAN SUSDAT
FDA SRS WC4Z2H2A28
PubChem 92689
ChemSpider 83672.0