Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FO4S6R9L1R
EPA CompTox DTXSID20275915

Structure

InChI Key OXWFFWJKUNMMSO-UHFFFAOYSA-N
Smiles CCCCCCCCNCCNCCNCCCCCCCC
InChI
InChI=1S/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H45N3
Molecular Weight 327.36
AlogP 4.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 20.0
Polar Surface Area 36.09
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 57413-95-3
NORMAN SUSDAT
FDA SRS FO4S6R9L1R
PubChem 93665
ChemSpider 84548.0