[(3-methylpyridin-2-yl)methyl](propan-2-yl)amine

• ChemBase ID: 307010
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(ncccc1C)CNC(C)C
• Canonical SMILES: CC(NCc1ncccc1C)C
• InChI: InChI=1S/C10H16N2/c1-8(2)12-7-10-9(3)5-4-6-11-10/h4-6,8,12H,7H2,1-3H3
• InChIKey: CVABCKIDOTTWHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methylpyridin-2-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(3-methylpyridin-2-yl)methyl]amine
• Synonyms: N-[(3-methylpyridin-2-yl)methyl]propan-2-amine

Database IDs

• CAS Number: 915923-23-8
• MDL Number: MFCD08691473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2233174
• LogD (pH = 7.4): 0.3901773
• Log P: 1.6821985
• Molar Refractivity: 50.8355 cm^3
• Polarizability: 20.111046 Å^3
• Polar Surface Area: 24.92 Å^2