Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30187530

Structure

InChI Key GTKAMMYWHUBNFR-UHFFFAOYSA-N
Smiles CCCCCC1=NCCN1CCN
InChI
InChI=1S/C10H21N3/c1-2-3-4-5-10-12-7-9-13(10)8-6-11/h2-9,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N3
Molecular Weight 183.17
AlogP 1.24
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 41.62
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 33906-22-8
NORMAN SUSDAT
PubChem 95180
ChemSpider 85885.0