Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30194608

Structure

InChI Key KLVOSHOFGYMCCP-UHFFFAOYSA-N
Smiles CCCCN(C(C)C)C(C)C
InChI
InChI=1S/C10H23N/c1-6-7-8-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23N1
Molecular Weight 157.18
AlogP 2.91
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 41781-44-6
NORMAN SUSDAT
PubChem 11062646
ChemSpider 9237799.0