1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine

• ChemBase ID: 610108
• Molecular Formular: C17H28N4
• Molecular Mass: 288.43102
• Monoisotopic Mass: 288.23139692
• SMILES: c1(N2CC(CC2)N(CC)CC)nc(C2CCCC2)ccn1
• Canonical SMILES: CCN(C1CCN(C1)c1nccc(n1)C1CCCC1)CC
• InChI: InChI=1S/C17H28N4/c1-3-20(4-2)15-10-12-21(13-15)17-18-11-9-16(19-17)14-7-5-6-8-14/h9,11,14-15H,3-8,10,12-13H2,1-2H3
• InChIKey: CRFCIENAKDPJSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
• IUPAC Traditional name: 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
• Synonyms: 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07156327
• LogD (pH = 7.4): 1.205011
• Log P: 3.3173313
• Molar Refractivity: 88.3725 cm^3
• Polarizability: 33.61391 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.74
• LOG S: -3.49
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5