[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl][3-(dimethylamino)propyl]amine

• ChemBase编号: 188618
• 分子式: C22H38N2
• 平均质量: 330.55052
• 单一同位素质量: 330.30349923
• SMILES: c12c(cc(cc1C(NCCCN(C)C)C)C(C)(C)C)C(CC2)(C)C
• Canonical SMILES: CN(CCCNC(c1cc(cc2c1CCC2(C)C)C(C)(C)C)C)C
• InChI: InChI=1S/C22H38N2/c1-16(23-12-9-13-24(7)8)19-14-17(21(2,3)4)15-20-18(19)10-11-22(20,5)6/h14-16,23H,9-13H2,1-8H3
• InChIKey: PZEUCIVVVWVHAI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl][3-(dimethylamino)propyl]amine
• IUPAC传统名: [1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethyl][3-(dimethylamino)propyl]amine

登记号

• PubChem SID: 164244528
• PubChem CID: 3396601

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.5197582
• LogD (pH = 7.4): 1.8611257
• Log P: 5.166582
• 摩尔折射率: 107.1801 cm^3
• 极化性: 41.97217 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds