About N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine (PubChem CID 123351090) has the molecular formula C9H12N2
and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2-pyridinyl)ethanimine.
Molecular Properties
| Compound Name | N-methyl-1-(5-methyl-2-pyridinyl)ethanimine |
| PubChem CID | 123351090 |
| Molecular Formula | C9H12N2 |
| Molecular Weight | 148.21 g/mol |
| Exact Mass | 148.10 |
| IUPAC Name | N-methyl-1-(5-methyl-2-pyridinyl)ethanimine |
| SMILES | C/N=C(\C)c1ccc(C)cn1 |
| InChI | InChI=1S/C9H12N2/c1-7-4-5-9(11-6-7)8(2)10-3/h4-6H,1-3H3/b10-8+ |
| InChIKey | BKDPACQBORMSQU-CSKARUKUSA-N |
| XLogP | 1.83 |
| TPSA | 25.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 148.21 |
| LogP ≤ 5 | 1.83 |
| 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-(5-methyl-2-pyridinyl)ethanimine?
The IUPAC name of N-methyl-1-(5-methyl-2-pyridinyl)ethanimine (CID 123351090) is N-methyl-1-(5-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for N-methyl-1-(5-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for N-methyl-1-(5-methyl-2-pyridinyl)ethanimine is C/N=C(\C)c1ccc(C)cn1.
What is the InChIKey of N-methyl-1-(5-methyl-2-pyridinyl)ethanimine?
The InChIKey is BKDPACQBORMSQU-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-5-9(11-6-7)8(2)10-3/h4-6H,1-3H3/b10-8+.
What are the key properties of N-methyl-1-(5-methyl-2-pyridinyl)ethanimine?
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine has a molecular weight of 148.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 123351090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).