About ethanimidamide
ethanimidamide (PubChem CID 140711225) has the molecular formula C2H5N2+
and a molecular weight of 57.08 g/mol. Its IUPAC name is ethanimidamide.
Molecular Properties
| Compound Name | ethanimidamide |
|---|
| PubChem CID | 140711225 |
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| Molecular Formula | C2H5N2+ |
|---|
| Molecular Weight | 57.08 g/mol |
|---|
| Exact Mass | 57.04 |
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| IUPAC Name | ethanimidamide |
|---|
| SMILES | [H]/N=C(\[CH2+])N |
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| InChI | InChI=1S/C2H5N2/c1-2(3)4/h1H2,(H3,3,4)/q+1 |
|---|
| InChIKey | WLDRWYKVKAXELT-UHFFFAOYSA-N |
|---|
| XLogP | -0.24 |
|---|
| TPSA | 49.87 Ų |
|---|
| H-Bond Donors | 2 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 57.08 |
| LogP ≤ 5 | -0.24 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethanimidamide?
The IUPAC name of ethanimidamide (CID 140711225) is ethanimidamide.
What is the SMILES notation for ethanimidamide?
The canonical SMILES for ethanimidamide is [H]/N=C(\[CH2+])N.
What is the InChIKey of ethanimidamide?
The InChIKey is WLDRWYKVKAXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N2/c1-2(3)4/h1H2,(H3,3,4)/q+1.
What are the key properties of ethanimidamide?
ethanimidamide has a molecular weight of 57.08 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide is sourced from PubChem (CID 140711225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).