About 4-[ethyl(2-methoxyethyl)amino]butanehydrazide
4-[ethyl(2-methoxyethyl)amino]butanehydrazide (PubChem CID 63584044) has the molecular formula C9H21N3O2
and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]butanehydrazide.
Molecular Properties
| Compound Name | 4-[ethyl(2-methoxyethyl)amino]butanehydrazide |
| PubChem CID | 63584044 |
| Molecular Formula | C9H21N3O2 |
| Molecular Weight | 203.29 g/mol |
| Exact Mass | 203.16 |
| IUPAC Name | 4-[ethyl(2-methoxyethyl)amino]butanehydrazide |
| SMILES | CCN(CCCC(=O)NN)CCOC |
| InChI | InChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13) |
| InChIKey | JEESJBFVEGIYMV-UHFFFAOYSA-N |
| XLogP | -0.28 |
| TPSA | 67.59 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 203.29 |
| LogP ≤ 5 | -0.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide (CID 63584044) is 4-[ethyl(2-methoxyethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide is CCN(CCCC(=O)NN)CCOC.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
The InChIKey is JEESJBFVEGIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]butanehydrazide?
4-[ethyl(2-methoxyethyl)amino]butanehydrazide has a molecular weight of 203.29 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]butanehydrazide is sourced from PubChem (CID 63584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).