About 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine
1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine (PubChem CID 2343911) has the molecular formula C14H21N3
and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine.
Molecular Properties
| Compound Name | 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine |
| PubChem CID | 2343911 |
| Molecular Formula | C14H21N3 |
| Molecular Weight | 231.34 g/mol |
| Exact Mass | 231.17 |
| IUPAC Name | 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine |
| SMILES | CCN1CC=C(NNc2ccc(C)cc2)CC1 |
| InChI | InChI=1S/C14H21N3/c1-3-17-10-8-14(9-11-17)16-15-13-6-4-12(2)5-7-13/h4-8,15-16H,3,9-11H2,1-2H3 |
| InChIKey | KXIGXZVLJKVHLI-UHFFFAOYSA-N |
| XLogP | 2.52 |
| TPSA | 27.30 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 231.34 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine?
The IUPAC name of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine (CID 2343911) is 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine.
What is the SMILES notation for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine?
The canonical SMILES for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine is CCN1CC=C(NNc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine?
The InChIKey is KXIGXZVLJKVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17-10-8-14(9-11-17)16-15-13-6-4-12(2)5-7-13/h4-8,15-16H,3,9-11H2,1-2H3.
What are the key properties of 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine?
1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine has a molecular weight of 231.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methylphenyl)hydrazine is sourced from PubChem (CID 2343911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).