1-(6-methylpyridin-2-yl)propan-1-amine

• ChemBase ID: 308782
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(C(N)CC)cccc1C
• Canonical SMILES: CCC(c1cccc(n1)C)N
• InChI: InChI=1S/C9H14N2/c1-3-8(10)9-6-4-5-7(2)11-9/h4-6,8H,3,10H2,1-2H3
• InChIKey: CDTQUDZMUDLYQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(6-methylpyridin-2-yl)propan-1-amine
• Synonyms: 1-(6-methyl-2-pyridinyl)-1-propanamine

Database IDs

• CAS Number: 1185320-33-5
• MDL Number: MFCD12827488

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.681661
• LogD (pH = 7.4): -0.27598047
• Log P: 1.1854706
• Molar Refractivity: 45.4617 cm^3
• Polarizability: 18.26421 Å^3
• Polar Surface Area: 38.91 Å^2