{1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}methanamine

• ChemBase ID: 318337
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(Cc2nc(ccc2)C)CC(CC1)CN
• Canonical SMILES: NCC1CCN(C1)Cc1cccc(n1)C
• InChI: InChI=1S/C12H19N3/c1-10-3-2-4-12(14-10)9-15-6-5-11(7-13)8-15/h2-4,11H,5-9,13H2,1H3
• InChIKey: AXRWQPDGOZGYOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}methanamine
• IUPAC Traditional name: {1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}methanamine
• Synonyms: ({1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.62552
• LogD (pH = 7.4): -2.660399
• Log P: 0.17857882
• Molar Refractivity: 62.0131 cm^3
• Polarizability: 24.585041 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.24
• LOG S: 0.69
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3