About N'-ethanimidoylethanimidamide
N'-ethanimidoylethanimidamide (PubChem CID 11448202) has the molecular formula C4H9N3
and a molecular weight of 99.14 g/mol. Its IUPAC name is N'-ethanimidoylethanimidamide.
Molecular Properties
| Compound Name | N'-ethanimidoylethanimidamide |
|---|
| PubChem CID | 11448202 |
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| Molecular Formula | C4H9N3 |
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| Molecular Weight | 99.14 g/mol |
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| Exact Mass | 99.08 |
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| IUPAC Name | N'-ethanimidoylethanimidamide |
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| SMILES | [H]/N=C(C)/N=C(\C)N |
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| InChI | InChI=1S/C4H9N3/c1-3(5)7-4(2)6/h1-2H3,(H3,5,6,7) |
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| InChIKey | GXZZJBFGPNHSMR-UHFFFAOYSA-N |
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| XLogP | 0.36 |
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| TPSA | 62.23 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 99.14 |
| LogP ≤ 5 | 0.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'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 N'-ethanimidoylethanimidamide?
The IUPAC name of N'-ethanimidoylethanimidamide (CID 11448202) is N'-ethanimidoylethanimidamide.
What is the SMILES notation for N'-ethanimidoylethanimidamide?
The canonical SMILES for N'-ethanimidoylethanimidamide is [H]/N=C(C)/N=C(\C)N.
What is the InChIKey of N'-ethanimidoylethanimidamide?
The InChIKey is GXZZJBFGPNHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3(5)7-4(2)6/h1-2H3,(H3,5,6,7).
What are the key properties of N'-ethanimidoylethanimidamide?
N'-ethanimidoylethanimidamide has a molecular weight of 99.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethanimidoylethanimidamide is sourced from PubChem (CID 11448202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).