(3S,4R)-N,N-dimethyl-4-propyl-1-(quinoxalin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 515427
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: N1(c2nc3c(nc2)cccc3)C[C@H]([C@@H](C1)CCC)N(C)C
• Canonical SMILES: CCC[C@@H]1CN(C[C@H]1N(C)C)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C17H24N4/c1-4-7-13-11-21(12-16(13)20(2)3)17-10-18-14-8-5-6-9-15(14)19-17/h5-6,8-10,13,16H,4,7,11-12H2,1-3H3/t13-,16-/m1/s1
• InChIKey: RDWFOYXVECDFGO-CZUORRHYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-N,N-dimethyl-4-propyl-1-(quinoxalin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: (3S,4R)-N,N-dimethyl-4-propyl-1-(quinoxalin-2-yl)pyrrolidin-3-amine
• Synonyms: (3S*,4R*)-N,N-dimethyl-4-propyl-1-(2-quinoxalinyl)-3-pyrrolidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.0076655075
• LogD (pH = 7.4): 1.4290298
• Log P: 3.3368871
• Molar Refractivity: 86.3966 cm^3
• Polarizability: 34.616596 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.94
• LOG S: -1.92
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4