7-(cyclohexylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 493562
• Molecular Formular: C21H33N3
• Molecular Mass: 327.50682
• Monoisotopic Mass: 327.26744807
• SMILES: N1(CC2(CN(CC3CCCCC3)CCC2)CC1)Cc1cnccc1
• Canonical SMILES: C1CCC(CC1)CN1CCCC2(C1)CCN(C2)Cc1cccnc1
• InChI: InChI=1S/C21H33N3/c1-2-6-19(7-3-1)15-23-12-5-9-21(17-23)10-13-24(18-21)16-20-8-4-11-22-14-20/h4,8,11,14,19H,1-3,5-7,9-10,12-13,15-18H2
• InChIKey: UQTDUHFHDJPUHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohexylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclohexylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclohexylmethyl)-2-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9662001
• LogD (pH = 7.4): 0.009577511
• Log P: 3.3590357
• Molar Refractivity: 100.9704 cm^3
• Polarizability: 39.800816 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.2
• LOG S: -2.04
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4