About [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine
[1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 106648982) has the molecular formula C11H22N2S
and a molecular weight of 214.38 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine.
Molecular Properties
| Compound Name | [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine |
| PubChem CID | 106648982 |
| Molecular Formula | C11H22N2S |
| Molecular Weight | 214.38 g/mol |
| Exact Mass | 214.15 |
| IUPAC Name | [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine |
| SMILES | CC(C)SCC(NN)C1=CCCCC1 |
| InChI | InChI=1S/C11H22N2S/c1-9(2)14-8-11(13-12)10-6-4-3-5-7-10/h6,9,11,13H,3-5,7-8,12H2,1-2H3 |
| InChIKey | PRDVBRWFKZFTSX-UHFFFAOYSA-N |
| XLogP | 2.46 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.38 |
| LogP ≤ 5 | 2.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 106648982) is [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine is CC(C)SCC(NN)C1=CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is PRDVBRWFKZFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)14-8-11(13-12)10-6-4-3-5-7-10/h6,9,11,13H,3-5,7-8,12H2,1-2H3.
What are the key properties of [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 214.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 106648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).