Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 59JTB7416J
EPA CompTox DTXSID20221952

Structure

InChI Key UKNVXIMLHBKVAE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCNCCCN
InChI
InChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H42N2
Molecular Weight 298.33
AlogP 5.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 38.05
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 7173-60-6
NORMAN SUSDAT
FDA SRS 59JTB7416J
PubChem 81604
ChemSpider 73634.0