1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine

C10H12N2 — CID 142880366

IUPAC1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine
SMILESC=C/N=C/c1cc(C)cnc1C
InChIInChI=1S/C10H12N2/c1-4-11-7-10-5-8(2)6-12-9(10)3/h4-7H,1H2,2-3H3/b11-7+
InChIKeyIMYBACBNTJJPAA-YRNVUSSQSA-N
MW160.22 g/mol
LogP2.26
Rot. Bonds2

About 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine

1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine (PubChem CID 142880366) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine
PubChem CID142880366
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine
SMILESC=C/N=C/c1cc(C)cnc1C
InChIInChI=1S/C10H12N2/c1-4-11-7-10-5-8(2)6-12-9(10)3/h4-7H,1H2,2-3H3/b11-7+
InChIKeyIMYBACBNTJJPAA-YRNVUSSQSA-N
XLogP2.26
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
CID 143845327
2,5-dimethylpyridine-3-carbaldehyde
CID 18731661
3-but-3-enyl-2,5-dimethylpyridine
CID 143845361
3-ethenyl-2-ethyl-5-methylpyridine
CID 74889262
ethane;N-ethenyl-1-(2-methylphenyl)methanimine
CID 143039569
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
5-bromo-2-methyl-3-[(1E)-penta-1,4-dienyl]pyridine
CID 144914180
N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
CID 144518543
2,7-dimethyl-1,5-naphthyridine
CID 118411507
2,5-dimethyl-3-methylsulfanylpyridine
CID 59938108
3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
CID 154542666
2-ethenyl-5-methylpyridine-3-thiol
CID 89029373

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine?
The IUPAC name of 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine (CID 142880366) is 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine.
What is the SMILES notation for 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine?
The canonical SMILES for 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine is C=C/N=C/c1cc(C)cnc1C.
What is the InChIKey of 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine?
The InChIKey is IMYBACBNTJJPAA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-11-7-10-5-8(2)6-12-9(10)3/h4-7H,1H2,2-3H3/b11-7+.
What are the key properties of 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine?
1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine has a molecular weight of 160.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-pyridinyl)-N-ethenylmethanimine is sourced from PubChem (CID 142880366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).