Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80183148

Structure

InChI Key STZDFHAKFMWLAD-UHFFFAOYSA-N
Smiles CN(C)CCCCCCCCCCCCN(C)C
InChI
InChI=1S/C16H36N2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(3)4/h5-16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H36N2
Molecular Weight 256.29
AlogP 4.01
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 6.48
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 28950-57-4
NORMAN SUSDAT
PubChem 120103
ChemSpider 107220.0