About N-methyl-1-pyridin-2-ylethanimine
N-methyl-1-pyridin-2-ylethanimine (PubChem CID 12970828) has the molecular formula C8H10N2
and a molecular weight of 134.18 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-ylethanimine.
Molecular Properties
| Compound Name | N-methyl-1-pyridin-2-ylethanimine |
| PubChem CID | 12970828 |
| Molecular Formula | C8H10N2 |
| Molecular Weight | 134.18 g/mol |
| Exact Mass | 134.08 |
| IUPAC Name | N-methyl-1-pyridin-2-ylethanimine |
| SMILES | C/N=C(\C)c1ccccn1 |
| InChI | InChI=1S/C8H10N2/c1-7(9-2)8-5-3-4-6-10-8/h3-6H,1-2H3/b9-7+ |
| InChIKey | IHOSZVRZVKLCSX-VQHVLOKHSA-N |
| XLogP | 1.52 |
| TPSA | 25.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 134.18 |
| LogP ≤ 5 | 1.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-1-pyridin-2-ylethanimine?
The IUPAC name of N-methyl-1-pyridin-2-ylethanimine (CID 12970828) is N-methyl-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-methyl-1-pyridin-2-ylethanimine?
The canonical SMILES for N-methyl-1-pyridin-2-ylethanimine is C/N=C(\C)c1ccccn1.
What is the InChIKey of N-methyl-1-pyridin-2-ylethanimine?
The InChIKey is IHOSZVRZVKLCSX-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2/c1-7(9-2)8-5-3-4-6-10-8/h3-6H,1-2H3/b9-7+.
What are the key properties of N-methyl-1-pyridin-2-ylethanimine?
N-methyl-1-pyridin-2-ylethanimine has a molecular weight of 134.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-ylethanimine is sourced from PubChem (CID 12970828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).