Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70238333

Structure

InChI Key MUQFLLKQSNNHIW-UHFFFAOYSA-N
Smiles CCCCN1CC2CN(CCCC)CC(C1)C2(C)C
InChI
InChI=1S/C17H34N2/c1-5-7-9-18-11-15-13-19(10-8-6-2)14-16(12-18)17(15,3)4/h15-16H,5-14H2,1-4H3/t15-,16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34N2
Molecular Weight 266.27
AlogP 3.48
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 6.48
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 90961-45-8
NORMAN SUSDAT
PubChem 198668
ChemSpider 171958.0