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

• ChemBase ID: 307047
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(CC(N)C)ncccc1C
• Canonical SMILES: CC(Cc1ncccc1C)N
• InChI: InChI=1S/C9H14N2/c1-7-4-3-5-11-9(7)6-8(2)10/h3-5,8H,6,10H2,1-2H3
• InChIKey: NTUIIOHWZULYBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylpyridin-2-yl)propan-2-amine
• IUPAC Traditional name: 1-(3-methylpyridin-2-yl)propan-2-amine
• Synonyms: 1-(3-methylpyridin-2-yl)propan-2-amine

Database IDs

• CAS Number: 91054-51-2
• MDL Number: MFCD08453222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9152567
• LogD (pH = 7.4): -1.216885
• Log P: 1.1298229
• Molar Refractivity: 46.0117 cm^3
• Polarizability: 18.18706 Å^3
• Polar Surface Area: 38.91 Å^2