4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

• ChemBase编号: 188902
• 分子式: C15H22ClN
• 平均质量: 251.79488
• 单一同位素质量: 251.14407739
• SMILES: N1c2c(C(CC31CCCCC3)C)cccc2.Cl
• Canonical SMILES: CC1CC2(CCCCC2)Nc2c1cccc2.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-12-11-15(9-5-2-6-10-15)16-14-8-4-3-7-13(12)14;/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3;1H
• InChIKey: LDHPIHUDEYMXGC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride
• IUPAC传统名: 4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

登记号

• PubChem SID: 164244812
• PubChem CID: 52993631

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.8616285
• LogD (pH = 7.4): 3.9394507
• Log P: 3.9405394
• 摩尔折射率: 69.6148 cm^3
• 极化性: 26.550108 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Derivatives & analogs of Natural Compounds