About 2-ethoxyhex-5-yn-3-amine
2-ethoxyhex-5-yn-3-amine (PubChem CID 64539239) has the molecular formula C8H15NO
and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethoxyhex-5-yn-3-amine.
Molecular Properties
| Compound Name | 2-ethoxyhex-5-yn-3-amine |
|---|
| PubChem CID | 64539239 |
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| Molecular Formula | C8H15NO |
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| Molecular Weight | 141.21 g/mol |
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| Exact Mass | 141.12 |
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| IUPAC Name | 2-ethoxyhex-5-yn-3-amine |
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| SMILES | C#CCC(N)C(C)OCC |
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| InChI | InChI=1S/C8H15NO/c1-4-6-8(9)7(3)10-5-2/h1,7-8H,5-6,9H2,2-3H3 |
|---|
| InChIKey | GUCFZGVBAWDOTH-UHFFFAOYSA-N |
|---|
| XLogP | 0.76 |
|---|
| TPSA | 35.25 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 141.21 |
| LogP ≤ 5 | 0.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxyhex-5-yn-3-amine?
The IUPAC name of 2-ethoxyhex-5-yn-3-amine (CID 64539239) is 2-ethoxyhex-5-yn-3-amine.
What is the SMILES notation for 2-ethoxyhex-5-yn-3-amine?
The canonical SMILES for 2-ethoxyhex-5-yn-3-amine is C#CCC(N)C(C)OCC.
What is the InChIKey of 2-ethoxyhex-5-yn-3-amine?
The InChIKey is GUCFZGVBAWDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(9)7(3)10-5-2/h1,7-8H,5-6,9H2,2-3H3.
What are the key properties of 2-ethoxyhex-5-yn-3-amine?
2-ethoxyhex-5-yn-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyhex-5-yn-3-amine is sourced from PubChem (CID 64539239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).