[6-methyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 281531
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: c1(nc(ccc1CN)C)N1CCCC1
• Canonical SMILES: NCc1ccc(nc1N1CCCC1)C
• InChI: InChI=1S/C11H17N3/c1-9-4-5-10(8-12)11(13-9)14-6-2-3-7-14/h4-5H,2-3,6-8,12H2,1H3
• InChIKey: VBRRXVUQKDPNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-methyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-methyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: (6-methyl-2-pyrrolidin-1-ylpyridin-3-yl)methylamine

Database IDs

• MDL Number: MFCD13196340
• PubChem SID: 180667062
• PubChem CID: 45792660

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9259174
• LogD (pH = 7.4): -0.2807875
• Log P: 1.1210109
• Molar Refractivity: 59.2491 cm^3
• Polarizability: 22.34144 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.924

Product Information

• Purity: 95%