About [(E)-but-1-enyl]-triethylazanium
[(E)-but-1-enyl]-triethylazanium (PubChem CID 19995424) has the molecular formula C10H22N+
and a molecular weight of 156.29 g/mol. Its IUPAC name is [(E)-but-1-enyl]-triethylazanium.
Molecular Properties
| Compound Name | [(E)-but-1-enyl]-triethylazanium |
|---|
| PubChem CID | 19995424 |
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| Molecular Formula | C10H22N+ |
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| Molecular Weight | 156.29 g/mol |
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| Exact Mass | 156.17 |
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| IUPAC Name | [(E)-but-1-enyl]-triethylazanium |
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| SMILES | CC/C=C/[N+](CC)(CC)CC |
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| InChI | InChI=1S/C10H22N/c1-5-9-10-11(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3/q+1/b10-9+ |
|---|
| InChIKey | UECCBJFQXBFGIL-MDZDMXLPSA-N |
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| XLogP | 2.79 |
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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 | 5 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 156.29 |
| LogP ≤ 5 | 2.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of [(E)-but-1-enyl]-triethylazanium?
The IUPAC name of [(E)-but-1-enyl]-triethylazanium (CID 19995424) is [(E)-but-1-enyl]-triethylazanium.
What is the SMILES notation for [(E)-but-1-enyl]-triethylazanium?
The canonical SMILES for [(E)-but-1-enyl]-triethylazanium is CC/C=C/[N+](CC)(CC)CC.
What is the InChIKey of [(E)-but-1-enyl]-triethylazanium?
The InChIKey is UECCBJFQXBFGIL-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H22N/c1-5-9-10-11(6-2,7-3)8-4/h9-10H,5-8H2,1-4H3/q+1/b10-9+.
What are the key properties of [(E)-but-1-enyl]-triethylazanium?
[(E)-but-1-enyl]-triethylazanium has a molecular weight of 156.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]-triethylazanium is sourced from PubChem (CID 19995424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).