N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 619586
• Molecular Formular: C18H34N4
• Molecular Mass: 306.48936
• Monoisotopic Mass: 306.27834711
• SMILES: n1n(c(cc1C)C)CCCN(C1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)CCCn1nc(cc1C)C
• InChI: InChI=1S/C18H34N4/c1-14-11-15(2)22(19-14)10-8-9-21(7)16-12-17(3,4)20-18(5,6)13-16/h11,16,20H,8-10,12-13H2,1-7H3
• InChIKey: ZZHXAODCKMWPJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.351151
• LogD (pH = 7.4): -2.404164
• Log P: 1.8487031
• Molar Refractivity: 105.8575 cm^3
• Polarizability: 36.86402 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.73
• LOG S: -3.61
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5