About 1-(4-methylphenyl)nonan-3-ylhydrazine
1-(4-methylphenyl)nonan-3-ylhydrazine (PubChem CID 105293919) has the molecular formula C16H28N2
and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)nonan-3-ylhydrazine.
Molecular Properties
| Compound Name | 1-(4-methylphenyl)nonan-3-ylhydrazine |
| PubChem CID | 105293919 |
| Molecular Formula | C16H28N2 |
| Molecular Weight | 248.41 g/mol |
| Exact Mass | 248.23 |
| IUPAC Name | 1-(4-methylphenyl)nonan-3-ylhydrazine |
| SMILES | CCCCCCC(CCc1ccc(C)cc1)NN |
| InChI | InChI=1S/C16H28N2/c1-3-4-5-6-7-16(18-17)13-12-15-10-8-14(2)9-11-15/h8-11,16,18H,3-7,12-13,17H2,1-2H3 |
| InChIKey | CBQFNSHGSTVVPC-UHFFFAOYSA-N |
| XLogP | 3.73 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 248.41 |
| LogP ≤ 5 | 3.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', '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 1-(4-methylphenyl)nonan-3-ylhydrazine?
The IUPAC name of 1-(4-methylphenyl)nonan-3-ylhydrazine (CID 105293919) is 1-(4-methylphenyl)nonan-3-ylhydrazine.
What is the SMILES notation for 1-(4-methylphenyl)nonan-3-ylhydrazine?
The canonical SMILES for 1-(4-methylphenyl)nonan-3-ylhydrazine is CCCCCCC(CCc1ccc(C)cc1)NN.
What is the InChIKey of 1-(4-methylphenyl)nonan-3-ylhydrazine?
The InChIKey is CBQFNSHGSTVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-4-5-6-7-16(18-17)13-12-15-10-8-14(2)9-11-15/h8-11,16,18H,3-7,12-13,17H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)nonan-3-ylhydrazine?
1-(4-methylphenyl)nonan-3-ylhydrazine has a molecular weight of 248.41 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)nonan-3-ylhydrazine is sourced from PubChem (CID 105293919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).