Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OFL3ABK0VR
EPA CompTox DTXSID9074018

Structure

InChI Key XHQHCZJKIMGMBY-UHFFFAOYSA-N
Smiles CCCCN(CCCC)CN(CCCC)CCCC
InChI
InChI=1S/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H38N2
Molecular Weight 270.3
AlogP 4.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 6.48
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 20280-10-8
NORMAN SUSDAT
FDA SRS OFL3ABK0VR
PubChem 88455
ChemSpider 79807.0