5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine

• ChemBase ID: 248554
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: c1(N2C(C)CCCC2)ncc(cc1C)N
• Canonical SMILES: Nc1cnc(c(c1)C)N1CCCCC1C
• InChI: InChI=1S/C12H19N3/c1-9-7-11(13)8-14-12(9)15-6-4-3-5-10(15)2/h7-8,10H,3-6,13H2,1-2H3
• InChIKey: VSWRTRKQBZMFDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine
• Synonyms: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD14545280
• PubChem SID: 164304464
• PubChem CID: 62477024

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0674428
• LogD (pH = 7.4): 2.1405127
• Log P: 2.4095113
• Molar Refractivity: 64.9456 cm^3
• Polarizability: 23.79624 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.723

Product Information

• Purity: 95%