About 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide
3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide (PubChem CID 12683536) has the molecular formula C21H52I2N2Si2
and a molecular weight of 642.64 g/mol. Its IUPAC name is 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide.
Molecular Properties
| Compound Name | 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide |
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| PubChem CID | 12683536 |
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| Molecular Formula | C21H52I2N2Si2 |
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| Molecular Weight | 642.64 g/mol |
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| Exact Mass | 642.18 |
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| IUPAC Name | 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide |
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| SMILES | CC[N+](C)(CC)CCC[Si](C)(C)C[Si](C)(C)CCC[N+](C)(CC)CC.[I-].[I-] |
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| InChI | InChI=1S/C21H52N2Si2.2HI/c1-11-22(5,12-2)17-15-19-24(7,8)21-25(9,10)20-16-18-23(6,13-3)14-4;;/h11-21H2,1-10H3;2*1H/q+2;;/p-2 |
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| InChIKey | XXSBNOAESYISKC-UHFFFAOYSA-L |
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| XLogP | -0.30 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 642.64 |
| LogP ≤ 5 | -0.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide?
The IUPAC name of 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide (CID 12683536) is 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide.
What is the SMILES notation for 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide?
The canonical SMILES for 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide is CC[N+](C)(CC)CCC[Si](C)(C)C[Si](C)(C)CCC[N+](C)(CC)CC.[I-].[I-].
What is the InChIKey of 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide?
The InChIKey is XXSBNOAESYISKC-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H52N2Si2.2HI/c1-11-22(5,12-2)17-15-19-24(7,8)21-25(9,10)20-16-18-23(6,13-3)14-4;;/h11-21H2,1-10H3;2*1H/q+2;;/p-2.
What are the key properties of 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide?
3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide has a molecular weight of 642.64 g/mol, XLogP of -0.30, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide is sourced from PubChem (CID 12683536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).