Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60206788

Structure

InChI Key YIHVRGYQUTZXNL-UHFFFAOYSA-N
Smiles CCCCNCc1ncccc1
InChI
InChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2
Molecular Weight 164.13
AlogP 1.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 24.92
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 58061-48-6
NORMAN SUSDAT
PubChem 93924
ChemSpider 84772.0