HCID11312575

1-[4-(3-Pyrrolidin-1-ylmethyl-cyclobutyl)-benzyl]-pyrrolidine

1-[[4-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]phenyl]methyl]pyrrolidine

C20H30N2298.5 g/mol

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IDENTITY

结构与身份

标准SMILES: c1cc(C2CC(CN3CCCC3)C2)ccc1CN1CCCC1
InChIKey: QTCJJUMFEWMXCR-UHFFFAOYSA-N
分子式: C20H30N2
平均分子量: 298.5 g/mol
单同位素质量: 298.24089897

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 6.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 330

ALIASES

名称与别名

共 7 条

SCHEMBL5787473SCHEMBL5788544SCHEMBL5790365QTCJJUMFEWMXCR-KESTWPANSA-NQTCJJUMFEWMXCR-UHFFFAOYSA-N1-[4-(3-Pyrrolidin-1-ylmethyl-cyclobutyl)-benzyl]-pyrrolidinetrans-1-[3-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutylmethyl]-pyrrolidine

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07115600B2

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uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07115600B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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