1,3,5-triethylpyridin-1-ium

C11H18N+ — CID 69390733

IUPAC1,3,5-triethylpyridin-1-ium
SMILESCCc1cc(CC)c[n+](CC)c1
InChIInChI=1S/C11H18N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3/q+1
InChIKeyGNMBRXVUJPANOG-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.12
Rot. Bonds3

About 1,3,5-triethylpyridin-1-ium

1,3,5-triethylpyridin-1-ium (PubChem CID 69390733) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is 1,3,5-triethylpyridin-1-ium.

Molecular Properties

Compound Name1,3,5-triethylpyridin-1-ium
PubChem CID69390733
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1,3,5-triethylpyridin-1-ium
SMILESCCc1cc(CC)c[n+](CC)c1
InChIInChI=1S/C11H18N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3/q+1
InChIKeyGNMBRXVUJPANOG-UHFFFAOYSA-N
XLogP2.12
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,3,5-triethylpyridin-1-ium?
The IUPAC name of 1,3,5-triethylpyridin-1-ium (CID 69390733) is 1,3,5-triethylpyridin-1-ium.
What is the SMILES notation for 1,3,5-triethylpyridin-1-ium?
The canonical SMILES for 1,3,5-triethylpyridin-1-ium is CCc1cc(CC)c[n+](CC)c1.
What is the InChIKey of 1,3,5-triethylpyridin-1-ium?
The InChIKey is GNMBRXVUJPANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3/q+1.
What are the key properties of 1,3,5-triethylpyridin-1-ium?
1,3,5-triethylpyridin-1-ium has a molecular weight of 164.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethylpyridin-1-ium is sourced from PubChem (CID 69390733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).