About N'-hydroxy-3-(2-methoxyethylamino)propanimidamide
N'-hydroxy-3-(2-methoxyethylamino)propanimidamide (PubChem CID 54847059) has the molecular formula C6H15N3O2
and a molecular weight of 161.20 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methoxyethylamino)propanimidamide.
Molecular Properties
| Compound Name | N'-hydroxy-3-(2-methoxyethylamino)propanimidamide |
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| PubChem CID | 54847059 |
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| Molecular Formula | C6H15N3O2 |
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| Molecular Weight | 161.20 g/mol |
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| Exact Mass | 161.12 |
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| IUPAC Name | N'-hydroxy-3-(2-methoxyethylamino)propanimidamide |
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| SMILES | COCCNCC/C(N)=N\O |
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| InChI | InChI=1S/C6H15N3O2/c1-11-5-4-8-3-2-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9) |
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| InChIKey | JKFKGJMWUXDCRI-UHFFFAOYSA-N |
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| XLogP | -0.64 |
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| TPSA | 79.87 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 11 |
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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 | 161.20 |
| LogP ≤ 5 | -0.64 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-3-(2-methoxyethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methoxyethylamino)propanimidamide (CID 54847059) is N'-hydroxy-3-(2-methoxyethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methoxyethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methoxyethylamino)propanimidamide is COCCNCC/C(N)=N\O.
What is the InChIKey of N'-hydroxy-3-(2-methoxyethylamino)propanimidamide?
The InChIKey is JKFKGJMWUXDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-11-5-4-8-3-2-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-3-(2-methoxyethylamino)propanimidamide?
N'-hydroxy-3-(2-methoxyethylamino)propanimidamide has a molecular weight of 161.20 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methoxyethylamino)propanimidamide is sourced from PubChem (CID 54847059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).