2-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoline

• ChemBase ID: 840466
• Molecular Formular: C19H25N3
• Molecular Mass: 295.4219
• Monoisotopic Mass: 295.20484782
• SMILES: N1(c2nc3c(cc2)cccc3)C[C@@H]2N(C[C@H](C1)CC2)CCC
• Canonical SMILES: CCCN1C[C@H]2CC[C@@H]1CN(C2)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H25N3/c1-2-11-21-12-15-7-9-17(21)14-22(13-15)19-10-8-16-5-3-4-6-18(16)20-19/h3-6,8,10,15,17H,2,7,9,11-14H2,1H3/t15-,17-/m1/s1
• InChIKey: HOFNHRWIYSKADZ-NVXWUHKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoline
• IUPAC Traditional name: 2-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoline
• Synonyms: 2-[(1R*,5R*)-6-propyl-3,6-diazabicyclo[3.2.2]non-3-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.68113387
• LogD (pH = 7.4): 1.9926537
• Log P: 4.129938
• Molar Refractivity: 91.8655 cm^3
• Polarizability: 36.6493 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.89
• LOG S: -2.81
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3