(3R,4S)-4-cyclopropyl-1-(5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 784869
• Molecular Formular: C16H23N3
• Molecular Mass: 257.37392
• Monoisotopic Mass: 257.18919775
• SMILES: N1(c2nc3c(cc2)CCCC3)C[C@H](C2CC2)[C@H](C1)N
• Canonical SMILES: N[C@H]1CN(C[C@@H]1C1CC1)c1ccc2c(n1)CCCC2
• InChI: InChI=1S/C16H23N3/c17-14-10-19(9-13(14)11-5-6-11)16-8-7-12-3-1-2-4-15(12)18-16/h7-8,11,13-14H,1-6,9-10,17H2/t13-,14+/m1/s1
• InChIKey: OEYPDIACNZOPMU-KGLIPLIRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-cyclopropyl-1-(5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-4-cyclopropyl-1-(5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidin-3-amine
• Synonyms: (3R*,4S*)-4-cyclopropyl-1-(5,6,7,8-tetrahydroquinolin-2-yl)pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7494177
• LogD (pH = 7.4): 0.314005
• Log P: 2.6826484
• Molar Refractivity: 77.9818 cm^3
• Polarizability: 30.019163 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.54
• LOG S: -2.24
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2