About aluminum;carbanide;2-phenylethylazanide
aluminum;carbanide;2-phenylethylazanide (PubChem CID 15977723) has the molecular formula C10H16AlN
and a molecular weight of 177.23 g/mol. Its IUPAC name is aluminum;carbanide;2-phenylethylazanide.
Molecular Properties
| Compound Name | aluminum;carbanide;2-phenylethylazanide |
|---|
| PubChem CID | 15977723 |
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| Molecular Formula | C10H16AlN |
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| Molecular Weight | 177.23 g/mol |
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| Exact Mass | 177.11 |
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| IUPAC Name | aluminum;carbanide;2-phenylethylazanide |
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| SMILES | [Al+3].[CH3-].[CH3-].[NH-]CCc1ccccc1 |
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| InChI | InChI=1S/C8H10N.2CH3.Al/c9-7-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2;2*1H3;/q3*-1;+3 |
|---|
| InChIKey | IJPLFOJGSHBUMD-UHFFFAOYSA-N |
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| XLogP | 2.80 |
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| TPSA | 23.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 177.23 |
| LogP ≤ 5 | 2.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of aluminum;carbanide;2-phenylethylazanide?
The IUPAC name of aluminum;carbanide;2-phenylethylazanide (CID 15977723) is aluminum;carbanide;2-phenylethylazanide.
What is the SMILES notation for aluminum;carbanide;2-phenylethylazanide?
The canonical SMILES for aluminum;carbanide;2-phenylethylazanide is [Al+3].[CH3-].[CH3-].[NH-]CCc1ccccc1.
What is the InChIKey of aluminum;carbanide;2-phenylethylazanide?
The InChIKey is IJPLFOJGSHBUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.2CH3.Al/c9-7-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2;2*1H3;/q3*-1;+3.
What are the key properties of aluminum;carbanide;2-phenylethylazanide?
aluminum;carbanide;2-phenylethylazanide has a molecular weight of 177.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;carbanide;2-phenylethylazanide is sourced from PubChem (CID 15977723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).