[4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 281478
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: c1(c(c(cc(n1)C)C)CN)N1CCCC1
• Canonical SMILES: NCc1c(C)cc(nc1N1CCCC1)C
• InChI: InChI=1S/C12H19N3/c1-9-7-10(2)14-12(11(9)8-13)15-5-3-4-6-15/h7H,3-6,8,13H2,1-2H3
• InChIKey: ORPXQUBSCPPHOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD12913264
• PubChem SID: 180667009
• PubChem CID: 45792616

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8878566
• LogD (pH = 7.4): 0.20087196
• Log P: 1.6344322
• Molar Refractivity: 64.2903 cm^3
• Polarizability: 24.106518 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.373

Product Information

• Purity: 95%