About N,N',2-triamino-N-ethylethanimidamide
N,N',2-triamino-N-ethylethanimidamide (PubChem CID 167455233) has the molecular formula C4H13N5
and a molecular weight of 131.18 g/mol. Its IUPAC name is N,N',2-triamino-N-ethylethanimidamide.
Molecular Properties
| Compound Name | N,N',2-triamino-N-ethylethanimidamide |
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| PubChem CID | 167455233 |
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| Molecular Formula | C4H13N5 |
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| Molecular Weight | 131.18 g/mol |
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| Exact Mass | 131.12 |
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| IUPAC Name | N,N',2-triamino-N-ethylethanimidamide |
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| SMILES | CCN(N)/C(CN)=N\N |
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| InChI | InChI=1S/C4H13N5/c1-2-9(7)4(3-5)8-6/h2-3,5-7H2,1H3/b8-4- |
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| InChIKey | XUHZWIVEOCDAPS-YWEYNIOJSA-N |
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| XLogP | -1.59 |
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| TPSA | 93.66 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 131.18 |
| LogP ≤ 5 | -1.59 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N,N',2-triamino-N-ethylethanimidamide?
The IUPAC name of N,N',2-triamino-N-ethylethanimidamide (CID 167455233) is N,N',2-triamino-N-ethylethanimidamide.
What is the SMILES notation for N,N',2-triamino-N-ethylethanimidamide?
The canonical SMILES for N,N',2-triamino-N-ethylethanimidamide is CCN(N)/C(CN)=N\N.
What is the InChIKey of N,N',2-triamino-N-ethylethanimidamide?
The InChIKey is XUHZWIVEOCDAPS-YWEYNIOJSA-N. The full InChI is InChI=1S/C4H13N5/c1-2-9(7)4(3-5)8-6/h2-3,5-7H2,1H3/b8-4-.
What are the key properties of N,N',2-triamino-N-ethylethanimidamide?
N,N',2-triamino-N-ethylethanimidamide has a molecular weight of 131.18 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-triamino-N-ethylethanimidamide is sourced from PubChem (CID 167455233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).