Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120278
Identification
Name: isopropylamine
Description:Conjugate acid of isopropylamine.
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C3H10N
Average Molecular Weight: 60.119
Monoisotopic Molecular Weight: 60.081326
InChI Key: JJWLVOIRVHMVIS-UHFFFAOYSA-O
InChI:InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/p+1
CAS number: Not Available
IUPAC Name:propan-2-aminium
Traditional IUPAC Name: Not Available
SMILES:CC([N+])C
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
Kingdom Organic compounds
Super ClassOrganic nitrogen compounds
Class Organonitrogen compounds
Sub ClassNot Available
Direct Parent Organonitrogen compounds
Alternative Parents
Substituents
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organic cation
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight60.12 g/molPubChem
XLogP3-AA0.1 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count0 PubChem
Rotatable Bond Count0 PubChem
Exact Mass60.081 g/molPubChem
Monoisotopic Mass60.081 g/molPubChem
Topological Polar Surface Area27.6 A^2PubChem
Heavy Atom Count4 PubChem
Formal Charge1 PubChem
Complexity10.8 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEMSPIDER2610295
CHEBI57492
PUBCHEM3364502
LIGAND-CPDC06748