(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine

C14H18N3+ — CID 5417857

IUPAC(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine
SMILESCCn1cccc/c1=N\c1cccc[n+]1CC
InChIInChI=1S/C14H18N3/c1-3-16-11-7-5-9-13(16)15-14-10-6-8-12-17(14)4-2/h5-12H,3-4H2,1-2H3/q+1
InChIKeyZNLVTKVACWJYMG-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.05
Rot. Bonds3

About (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine

(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine (PubChem CID 5417857) has the molecular formula C14H18N3+ and a molecular weight of 228.32 g/mol. Its IUPAC name is (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine.

Molecular Properties

Compound Name(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine
PubChem CID5417857
Molecular FormulaC14H18N3+
Molecular Weight228.32 g/mol
Exact Mass228.15
IUPAC Name(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine
SMILESCCn1cccc/c1=N\c1cccc[n+]1CC
InChIInChI=1S/C14H18N3/c1-3-16-11-7-5-9-13(16)15-14-10-6-8-12-17(14)4-2/h5-12H,3-4H2,1-2H3/q+1
InChIKeyZNLVTKVACWJYMG-UHFFFAOYSA-N
XLogP2.05
TPSA21.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine?
The IUPAC name of (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine (CID 5417857) is (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine.
What is the SMILES notation for (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine?
The canonical SMILES for (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine is CCn1cccc/c1=N\c1cccc[n+]1CC.
What is the InChIKey of (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine?
The InChIKey is ZNLVTKVACWJYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3/c1-3-16-11-7-5-9-13(16)15-14-10-6-8-12-17(14)4-2/h5-12H,3-4H2,1-2H3/q+1.
What are the key properties of (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine?
(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine has a molecular weight of 228.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine is sourced from PubChem (CID 5417857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).