1-[(1-ethyl-1H-imidazol-2-yl)methyl]-8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 601758
• Molecular Formular: C20H29N5
• Molecular Mass: 339.47776
• Monoisotopic Mass: 339.24229595
• SMILES: c1(n(ccn1)CC)CN1C2(CCN(c3nc(ccc3)C)CC2)CCC1
• Canonical SMILES: CCn1ccnc1CN1CCCC21CCN(CC2)c1cccc(n1)C
• InChI: InChI=1S/C20H29N5/c1-3-23-15-11-21-19(23)16-25-12-5-8-20(25)9-13-24(14-10-20)18-7-4-6-17(2)22-18/h4,6-7,11,15H,3,5,8-10,12-14,16H2,1-2H3
• InChIKey: NLYSXTBVBGUKLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-[(1-ethylimidazol-2-yl)methyl]-8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7887373
• LogD (pH = 7.4): 1.2016544
• Log P: 2.2054708
• Molar Refractivity: 102.6561 cm^3
• Polarizability: 38.991505 Å^3
• Polar Surface Area: 37.19 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: 2.68
• LOG S: -2.96
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 4