(3S,4R)-N,N-dimethyl-1-(4-methylquinolin-2-yl)-4-propylpyrrolidin-3-amine

• ChemBase ID: 356897
• Molecular Formular: C19H27N3
• Molecular Mass: 297.43778
• Monoisotopic Mass: 297.22049788
• SMILES: N1(c2nc3c(c(c2)C)cccc3)C[C@H]([C@@H](C1)CCC)N(C)C
• Canonical SMILES: CCC[C@@H]1CN(C[C@H]1N(C)C)c1cc(C)c2c(n1)cccc2
• InChI: InChI=1S/C19H27N3/c1-5-8-15-12-22(13-18(15)21(3)4)19-11-14(2)16-9-6-7-10-17(16)20-19/h6-7,9-11,15,18H,5,8,12-13H2,1-4H3/t15-,18-/m1/s1
• InChIKey: IGGSMHLAHNIIEY-CRAIPNDOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-N,N-dimethyl-1-(4-methylquinolin-2-yl)-4-propylpyrrolidin-3-amine
• IUPAC Traditional name: (3S,4R)-N,N-dimethyl-1-(4-methylquinolin-2-yl)-4-propylpyrrolidin-3-amine
• Synonyms: (3S*,4R*)-N,N-dimethyl-1-(4-methyl-2-quinolinyl)-4-propyl-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0090188
• LogD (pH = 7.4): 2.7066464
• Log P: 4.6821303
• Molar Refractivity: 93.9667 cm^3
• Polarizability: 37.310165 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.76
• LOG S: -2.72
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4