3-(4-methylpyridin-2-yl)propan-1-amine

• ChemBase ID: 804369
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: NCCCc1nccc(c1)C
• Canonical SMILES: Cc1cc(CCCN)ncc1
• InChI: InChI=1S/C9H14N2/c1-8-4-6-11-9(7-8)3-2-5-10/h4,6-7H,2-3,5,10H2,1H3
• InChIKey: PHTCEIFMGVUPEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(4-methylpyridin-2-yl)propan-1-amine
• Synonyms: 3-(4-METHYL-PYRIDIN-2-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0925872
• LogD (pH = 7.4): -1.4954585
• Log P: 1.001909
• Molar Refractivity: 46.3479 cm^3
• Polarizability: 18.186222 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%