Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40234847

Structure

InChI Key HDYZARWVRHUPFD-UHFFFAOYSA-N
Smiles CN(C)CCCCN1CCCC1
InChI
InChI=1S/C10H22N2/c1-11(2)7-3-4-8-12-9-5-6-10-12/h3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22N2
Molecular Weight 170.18
AlogP 1.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 6.48
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85614-47-7
NORMAN SUSDAT
PubChem 11970965
ChemSpider 10144346.0