About 1-quinolin-3-ylbutylhydrazine
1-quinolin-3-ylbutylhydrazine (PubChem CID 105202157) has the molecular formula C13H17N3
and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-quinolin-3-ylbutylhydrazine.
Molecular Properties
| Compound Name | 1-quinolin-3-ylbutylhydrazine |
| PubChem CID | 105202157 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.30 g/mol |
| Exact Mass | 215.14 |
| IUPAC Name | 1-quinolin-3-ylbutylhydrazine |
| SMILES | CCCC(NN)c1cnc2ccccc2c1 |
| InChI | InChI=1S/C13H17N3/c1-2-5-13(16-14)11-8-10-6-3-4-7-12(10)15-9-11/h3-4,6-9,13,16H,2,5,14H2,1H3 |
| InChIKey | GOXFJYDKBDQHFT-UHFFFAOYSA-N |
| XLogP | 2.54 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 215.30 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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 1-quinolin-3-ylbutylhydrazine?
The IUPAC name of 1-quinolin-3-ylbutylhydrazine (CID 105202157) is 1-quinolin-3-ylbutylhydrazine.
What is the SMILES notation for 1-quinolin-3-ylbutylhydrazine?
The canonical SMILES for 1-quinolin-3-ylbutylhydrazine is CCCC(NN)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylbutylhydrazine?
The InChIKey is GOXFJYDKBDQHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-5-13(16-14)11-8-10-6-3-4-7-12(10)15-9-11/h3-4,6-9,13,16H,2,5,14H2,1H3.
What are the key properties of 1-quinolin-3-ylbutylhydrazine?
1-quinolin-3-ylbutylhydrazine has a molecular weight of 215.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylbutylhydrazine is sourced from PubChem (CID 105202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).