2-(5,6-dimethylpyridin-2-yl)ethan-1-amine

• ChemBase ID: 802842
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(Cc1nc(c(cc1)C)C)N
• Canonical SMILES: Cc1nc(CCN)ccc1C
• InChI: InChI=1S/C9H14N2/c1-7-3-4-9(5-6-10)11-8(7)2/h3-4H,5-6,10H2,1-2H3
• InChIKey: MIXUAUYRUUDKBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,6-dimethylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5,6-dimethylpyridin-2-yl)ethanamine
• Synonyms: 2-(5,6-DIMETHYLPYRIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2898057
• LogD (pH = 7.4): -1.3291191
• Log P: 0.844618
• Molar Refractivity: 46.1844 cm^3
• Polarizability: 18.107533 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%