[1-(6-methylpyridin-3-yl)cyclopropyl]methanamine

• ChemBase ID: 814708
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: C(N)C1(CC1)c1cnc(cc1)C
• Canonical SMILES: NCC1(CC1)c1ccc(nc1)C
• InChI: InChI=1S/C10H14N2/c1-8-2-3-9(6-12-8)10(7-11)4-5-10/h2-3,6H,4-5,7,11H2,1H3
• InChIKey: PAIUGKPMIAZLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-methylpyridin-3-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(6-methylpyridin-3-yl)cyclopropyl]methanamine
• Synonyms: (1-(6-methylpyridin-3-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060806-22-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4272287
• LogD (pH = 7.4): -1.4046601
• Log P: 0.58062094
• Molar Refractivity: 48.7885 cm^3
• Polarizability: 19.292248 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%