3-ethyl-1-methylpyridin-2-imine

C8H12N2 — CID 174267832

IUPAC3-ethyl-1-methylpyridin-2-imine
SMILES[H]/N=c1\c(CC)cccn1C
InChIInChI=1S/C8H12N2/c1-3-7-5-4-6-10(2)8(7)9/h4-6,9H,3H2,1-2H3/b9-8+
InChIKeyZEUZOCDYVJFKKO-CMDGGOBGSA-N
MW136.20 g/mol
LogP1.07
Rot. Bonds1

About 3-ethyl-1-methylpyridin-2-imine

3-ethyl-1-methylpyridin-2-imine (PubChem CID 174267832) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-ethyl-1-methylpyridin-2-imine.

Molecular Properties

Compound Name3-ethyl-1-methylpyridin-2-imine
PubChem CID174267832
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-ethyl-1-methylpyridin-2-imine
SMILES[H]/N=c1\c(CC)cccn1C
InChIInChI=1S/C8H12N2/c1-3-7-5-4-6-10(2)8(7)9/h4-6,9H,3H2,1-2H3/b9-8+
InChIKeyZEUZOCDYVJFKKO-CMDGGOBGSA-N
XLogP1.07
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyridin-2-imine?
The IUPAC name of 3-ethyl-1-methylpyridin-2-imine (CID 174267832) is 3-ethyl-1-methylpyridin-2-imine.
What is the SMILES notation for 3-ethyl-1-methylpyridin-2-imine?
The canonical SMILES for 3-ethyl-1-methylpyridin-2-imine is [H]/N=c1\c(CC)cccn1C.
What is the InChIKey of 3-ethyl-1-methylpyridin-2-imine?
The InChIKey is ZEUZOCDYVJFKKO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-5-4-6-10(2)8(7)9/h4-6,9H,3H2,1-2H3/b9-8+.
What are the key properties of 3-ethyl-1-methylpyridin-2-imine?
3-ethyl-1-methylpyridin-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyridin-2-imine is sourced from PubChem (CID 174267832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).