5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine

• ChemBase ID: 799130
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: n1c(ccc(c1)C)C1NCC(C1)C
• Canonical SMILES: CC1CNC(C1)c1ccc(cn1)C
• InChI: InChI=1S/C11H16N2/c1-8-3-4-10(12-6-8)11-5-9(2)7-13-11/h3-4,6,9,11,13H,5,7H2,1-2H3
• InChIKey: NMWDLZALLAXIRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine
• Synonyms: 5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine

Database IDs

• CAS Number: 603089-92-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2981231
• LogD (pH = 7.4): -0.30164412
• Log P: 1.8915421
• Molar Refractivity: 53.426 cm^3
• Polarizability: 21.217066 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%