Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TTM7ZU82DV
EPA CompTox DTXSID90180082

Structure

InChI Key UOIWOHLIGKIYFE-UHFFFAOYSA-N
Smiles CCCCCNC
InChI
InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1
Molecular Weight 101.12
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 25419-06-1
NORMAN SUSDAT
FDA SRS TTM7ZU82DV
PubChem 117479
ChemSpider 11966.0