3,3,4,4-tetraethylpyridine

C13H23N — CID 67362873

IUPAC3,3,4,4-tetraethylpyridine
SMILESCCC1(CC)C=CN=CC1(CC)CC
InChIInChI=1S/C13H23N/c1-5-12(6-2)9-10-14-11-13(12,7-3)8-4/h9-11H,5-8H2,1-4H3
InChIKeyFIOJTFNGPKHFQS-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.20
Rot. Bonds4

About 3,3,4,4-tetraethylpyridine

3,3,4,4-tetraethylpyridine (PubChem CID 67362873) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,3,4,4-tetraethylpyridine.

Molecular Properties

Compound Name3,3,4,4-tetraethylpyridine
PubChem CID67362873
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,3,4,4-tetraethylpyridine
SMILESCCC1(CC)C=CN=CC1(CC)CC
InChIInChI=1S/C13H23N/c1-5-12(6-2)9-10-14-11-13(12,7-3)8-4/h9-11H,5-8H2,1-4H3
InChIKeyFIOJTFNGPKHFQS-UHFFFAOYSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetraethylpyridine?
The IUPAC name of 3,3,4,4-tetraethylpyridine (CID 67362873) is 3,3,4,4-tetraethylpyridine.
What is the SMILES notation for 3,3,4,4-tetraethylpyridine?
The canonical SMILES for 3,3,4,4-tetraethylpyridine is CCC1(CC)C=CN=CC1(CC)CC.
What is the InChIKey of 3,3,4,4-tetraethylpyridine?
The InChIKey is FIOJTFNGPKHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-12(6-2)9-10-14-11-13(12,7-3)8-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3,3,4,4-tetraethylpyridine?
3,3,4,4-tetraethylpyridine has a molecular weight of 193.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetraethylpyridine is sourced from PubChem (CID 67362873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).