About 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane
1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane (PubChem CID 101211931) has the molecular formula C10H27BrNPSi2
and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane.
Molecular Properties
| Compound Name | 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane |
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| PubChem CID | 101211931 |
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| Molecular Formula | C10H27BrNPSi2 |
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| Molecular Weight | 328.38 g/mol |
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| Exact Mass | 327.06 |
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| IUPAC Name | 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane |
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| SMILES | CCCCP(Br)N([Si](C)(C)C)[Si](C)(C)C |
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| InChI | InChI=1S/C10H27BrNPSi2/c1-8-9-10-13(11)12(14(2,3)4)15(5,6)7/h8-10H2,1-7H3 |
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| InChIKey | JVECEURJIAQREL-UHFFFAOYSA-N |
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| XLogP | 5.47 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 328.38 |
| LogP ≤ 5 | 5.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane?
The IUPAC name of 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane (CID 101211931) is 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane.
What is the SMILES notation for 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane?
The canonical SMILES for 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane is CCCCP(Br)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane?
The InChIKey is JVECEURJIAQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27BrNPSi2/c1-8-9-10-13(11)12(14(2,3)4)15(5,6)7/h8-10H2,1-7H3.
What are the key properties of 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane?
1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane has a molecular weight of 328.38 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(trimethylsilyl)amino]-bromophosphanyl]butane is sourced from PubChem (CID 101211931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).