About [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine
[3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine (PubChem CID 103025313) has the molecular formula C11H24N2O2
and a molecular weight of 216.32 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine.
Molecular Properties
| Compound Name | [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine |
| PubChem CID | 103025313 |
| Molecular Formula | C11H24N2O2 |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.18 |
| IUPAC Name | [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine |
| SMILES | COC(C)(C)CC(NN)C1CCOCC1 |
| InChI | InChI=1S/C11H24N2O2/c1-11(2,14-3)8-10(13-12)9-4-6-15-7-5-9/h9-10,13H,4-8,12H2,1-3H3 |
| InChIKey | DHHBTSSYYUMSMI-UHFFFAOYSA-N |
| XLogP | 1.06 |
| TPSA | 56.51 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.32 |
| LogP ≤ 5 | 1.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'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 [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine?
The IUPAC name of [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine (CID 103025313) is [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine.
What is the SMILES notation for [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine?
The canonical SMILES for [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine is COC(C)(C)CC(NN)C1CCOCC1.
What is the InChIKey of [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine?
The InChIKey is DHHBTSSYYUMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,14-3)8-10(13-12)9-4-6-15-7-5-9/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine?
[3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine has a molecular weight of 216.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-(oxan-4-yl)butyl]hydrazine is sourced from PubChem (CID 103025313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).