Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 846A8RML53
EPA CompTox DTXSID6038823

Structure

InChI Key VZRUGPJUVWRHKM-UHFFFAOYSA-N
Smiles CCCCNCCCCCCNCCCC
InChI
InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H32N2
Molecular Weight 228.26
AlogP 3.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 24.06
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 4835-11-4
NORMAN SUSDAT
FDA SRS 846A8RML53
PubChem 20972
ChemSpider 19729.0