About N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide
N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide (PubChem CID 77032603) has the molecular formula C10H23N3O2
and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide.
Molecular Properties
| Compound Name | N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide |
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| PubChem CID | 77032603 |
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| Molecular Formula | C10H23N3O2 |
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| Molecular Weight | 217.31 g/mol |
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| Exact Mass | 217.18 |
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| IUPAC Name | N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide |
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| SMILES | COCCCCNCCCCC(N)=NO |
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| InChI | InChI=1S/C10H23N3O2/c1-15-9-5-4-8-12-7-3-2-6-10(11)13-14/h12,14H,2-9H2,1H3,(H2,11,13) |
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| InChIKey | SGIBORODNINRQC-UHFFFAOYSA-N |
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| XLogP | 0.92 |
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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 | 10 |
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| Heavy Atoms | 15 |
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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 | 217.31 |
| LogP ≤ 5 | 0.92 |
| 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-5-(4-methoxybutylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide (CID 77032603) is N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide is COCCCCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide?
The InChIKey is SGIBORODNINRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-15-9-5-4-8-12-7-3-2-6-10(11)13-14/h12,14H,2-9H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide?
N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methoxybutylamino)pentanimidamide is sourced from PubChem (CID 77032603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).