3-(4-methylpyridin-3-yl)propan-1-amine

• ChemBase ID: 815079
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(CCc1cnccc1C)N
• Canonical SMILES: Cc1ccncc1CCCN
• InChI: InChI=1S/C9H14N2/c1-8-4-6-11-7-9(8)3-2-5-10/h4,6-7H,2-3,5,10H2,1H3
• InChIKey: PKTUUZGUHNUYIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(4-methylpyridin-3-yl)propan-1-amine
• Synonyms: 3-(4-methylpyridin-3-yl)propan-1-amine

Database IDs

• CAS Number: 1060805-02-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.522264
• LogD (pH = 7.4): -1.397093
• Log P: 1.1279931
• Molar Refractivity: 46.7717 cm^3
• Polarizability: 18.185768 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%