About 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide
4-(2-ethylhexoxy)-N'-hydroxybutanimidamide (PubChem CID 43128388) has the molecular formula C12H26N2O2
and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide.
Molecular Properties
| Compound Name | 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide |
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| PubChem CID | 43128388 |
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| Molecular Formula | C12H26N2O2 |
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| Molecular Weight | 230.35 g/mol |
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| Exact Mass | 230.20 |
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| IUPAC Name | 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide |
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| SMILES | CCCCC(CC)COCCC/C(N)=N/O |
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| InChI | InChI=1S/C12H26N2O2/c1-3-5-7-11(4-2)10-16-9-6-8-12(13)14-15/h11,15H,3-10H2,1-2H3,(H2,13,14) |
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| InChIKey | YIGPAPLQCPBTST-UHFFFAOYSA-N |
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| XLogP | 2.75 |
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| TPSA | 67.84 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 16 |
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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 | 230.35 |
| LogP ≤ 5 | 2.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide (CID 43128388) is 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide is CCCCC(CC)COCCC/C(N)=N/O.
What is the InChIKey of 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide?
The InChIKey is YIGPAPLQCPBTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-7-11(4-2)10-16-9-6-8-12(13)14-15/h11,15H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide?
4-(2-ethylhexoxy)-N'-hydroxybutanimidamide has a molecular weight of 230.35 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 43128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).