2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 549349
• Molecular Formular: C21H38N4
• Molecular Mass: 346.55322
• Monoisotopic Mass: 346.30964724
• SMILES: n1n(c(cc1C)C)CCCN1CC2(CN(CC(C)(C)C)CCC2)CC1
• Canonical SMILES: Cc1nn(c(c1)C)CCCN1CCC2(C1)CCCN(C2)CC(C)(C)C
• InChI: InChI=1S/C21H38N4/c1-18-14-19(2)25(22-18)12-7-11-23-13-9-21(16-23)8-6-10-24(17-21)15-20(3,4)5/h14H,6-13,15-17H2,1-5H3
• InChIKey: XLFWPJWOVLMEQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,2-dimethylpropyl)-2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0504005
• LogD (pH = 7.4): -0.7118064
• Log P: 2.980728
• Molar Refractivity: 118.511 cm^3
• Polarizability: 41.663807 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.54
• LOG S: -3.54
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6