1-(5-methylpyridin-2-yl)propan-1-amine

• ChemBase ID: 308862
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(ccc(c1)C)C(N)CC
• Canonical SMILES: CCC(c1ccc(cn1)C)N
• InChI: InChI=1S/C9H14N2/c1-3-8(10)9-5-4-7(2)6-11-9/h4-6,8H,3,10H2,1-2H3
• InChIKey: ZJGCRAJCKXIEKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methylpyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(5-methylpyridin-2-yl)propan-1-amine
• Synonyms: 1-(5-methyl-2-pyridinyl)-1-propanamine

Database IDs

• CAS Number: 1210514-03-6
• MDL Number: MFCD12827495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2988852
• LogD (pH = 7.4): 0.1047456
• Log P: 1.5675217
• Molar Refractivity: 45.9114 cm^3
• Polarizability: 18.26392 Å^3
• Polar Surface Area: 38.91 Å^2