About N,N'-diamino-2-(methylamino)ethanimidamide
N,N'-diamino-2-(methylamino)ethanimidamide (PubChem CID 144975254) has the molecular formula C3H11N5
and a molecular weight of 117.16 g/mol. Its IUPAC name is N,N'-diamino-2-(methylamino)ethanimidamide.
Molecular Properties
| Compound Name | N,N'-diamino-2-(methylamino)ethanimidamide |
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| PubChem CID | 144975254 |
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| Molecular Formula | C3H11N5 |
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| Molecular Weight | 117.16 g/mol |
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| Exact Mass | 117.10 |
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| IUPAC Name | N,N'-diamino-2-(methylamino)ethanimidamide |
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| SMILES | CNC/C(=N/N)NN |
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| InChI | InChI=1S/C3H11N5/c1-6-2-3(7-4)8-5/h6H,2,4-5H2,1H3,(H,7,8) |
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| InChIKey | QKDUPRFRARZCGS-UHFFFAOYSA-N |
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| XLogP | -2.06 |
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| TPSA | 88.46 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 8 |
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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 | 117.16 |
| LogP ≤ 5 | -2.06 |
| H-Bond Donors ≤ 5 | 4 |
| 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'-diamino-2-(methylamino)ethanimidamide?
The IUPAC name of N,N'-diamino-2-(methylamino)ethanimidamide (CID 144975254) is N,N'-diamino-2-(methylamino)ethanimidamide.
What is the SMILES notation for N,N'-diamino-2-(methylamino)ethanimidamide?
The canonical SMILES for N,N'-diamino-2-(methylamino)ethanimidamide is CNC/C(=N/N)NN.
What is the InChIKey of N,N'-diamino-2-(methylamino)ethanimidamide?
The InChIKey is QKDUPRFRARZCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5/c1-6-2-3(7-4)8-5/h6H,2,4-5H2,1H3,(H,7,8).
What are the key properties of N,N'-diamino-2-(methylamino)ethanimidamide?
N,N'-diamino-2-(methylamino)ethanimidamide has a molecular weight of 117.16 g/mol, XLogP of -2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-(methylamino)ethanimidamide is sourced from PubChem (CID 144975254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).