(10bR)-5,10b-dimethyl-3-propyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide

• ChemBase编号: 181226
• 分子式: C17H30IN
• 平均质量: 375.33127
• 单一同位素质量: 375.14229797
• SMILES: [N+]12([C@@](C3=C(CC2)CCC3)(CCC(C1)CCC)C)C.[I-]
• Canonical SMILES: CCCC1CC[C@]2([N+](C1)(C)CCC1=C2CCC1)C.[I-]
• InChI: InChI=1S/C17H30N.HI/c1-4-6-14-9-11-17(2)16-8-5-7-15(16)10-12-18(17,3)13-14;/h14H,4-13H2,1-3H3;1H/q+1;/p-1/t14?,17-,18?;/m1./s1
• InChIKey: LVDYPSZRFCRNQX-ZUQOSEJSSA-M

名称和登记号

名称

• IUPAC标准名: (10bR)-5,10b-dimethyl-3-propyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
• IUPAC传统名: (10bR)-5,10b-dimethyl-3-propyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-cyclopenta[a]quinolizin-5-ium iodide

登记号

• PubChem SID: 164237136
• PubChem CID: 52993166

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -0.4154299
• LogD (pH = 7.4): -0.4154299
• Log P: -0.4154299
• 摩尔折射率: 90.4931 cm^3
• 极化性: 31.121986 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: I-
• 分类: Rare Derivatives of Natural Compounds