1-ethylpyridin-4-imine

C7H10N2 — CID 657409

IUPAC1-ethylpyridin-4-imine
SMILES[H]N=c1ccn(CC)cc1
InChIInChI=1S/C7H10N2/c1-2-9-5-3-7(8)4-6-9/h3-6,8H,2H2,1H3
InChIKeySSKSEXZATXLXLL-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.99
Rot. Bonds1

About 1-ethylpyridin-4-imine

1-ethylpyridin-4-imine (PubChem CID 657409) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethylpyridin-4-imine.

Molecular Properties

Compound Name1-ethylpyridin-4-imine
PubChem CID657409
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-ethylpyridin-4-imine
SMILES[H]N=c1ccn(CC)cc1
InChIInChI=1S/C7H10N2/c1-2-9-5-3-7(8)4-6-9/h3-6,8H,2H2,1H3
InChIKeySSKSEXZATXLXLL-UHFFFAOYSA-N
XLogP0.99
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyridin-4-imine?
The IUPAC name of 1-ethylpyridin-4-imine (CID 657409) is 1-ethylpyridin-4-imine.
What is the SMILES notation for 1-ethylpyridin-4-imine?
The canonical SMILES for 1-ethylpyridin-4-imine is [H]N=c1ccn(CC)cc1.
What is the InChIKey of 1-ethylpyridin-4-imine?
The InChIKey is SSKSEXZATXLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-5-3-7(8)4-6-9/h3-6,8H,2H2,1H3.
What are the key properties of 1-ethylpyridin-4-imine?
1-ethylpyridin-4-imine has a molecular weight of 122.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridin-4-imine is sourced from PubChem (CID 657409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).