[(5-cyclopropyl-1H-pyrazol-3-yl)methyl][3-(dimethylamino)-2,2-dimethylpropyl]methylamine

• ChemBase ID: 746298
• Molecular Formular: C15H28N4
• Molecular Mass: 264.40962
• Monoisotopic Mass: 264.23139692
• SMILES: c1([nH]nc(c1)CN(CC(CN(C)C)(C)C)C)C1CC1
• Canonical SMILES: CN(Cc1cc([nH]n1)C1CC1)CC(CN(C)C)(C)C
• InChI: InChI=1S/C15H28N4/c1-15(2,10-18(3)4)11-19(5)9-13-8-14(17-16-13)12-6-7-12/h8,12H,6-7,9-11H2,1-5H3,(H,16,17)
• InChIKey: WOJJQKJXFLUTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1H-pyrazol-3-yl)methyl][3-(dimethylamino)-2,2-dimethylpropyl]methylamine
• IUPAC Traditional name: [(5-cyclopropyl-1H-pyrazol-3-yl)methyl][3-(dimethylamino)-2,2-dimethylpropyl]methylamine
• Synonyms: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,N',N',2,2-pentamethylpropane-1,3-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.073508
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1307223
• LogD (pH = 7.4): -0.346694
• Log P: 1.9739085
• Molar Refractivity: 81.7528 cm^3
• Polarizability: 31.489094 Å^3
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.2
• LOG S: -2.0
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 7