3,3,4,4,6-pentamethylpyridine

C10H17N — CID 67362875

IUPAC3,3,4,4,6-pentamethylpyridine
SMILESCC1=CC(C)(C)C(C)(C)C=N1
InChIInChI=1S/C10H17N/c1-8-6-9(2,3)10(4,5)7-11-8/h6-7H,1-5H3
InChIKeyARSZBBMKCAFMTE-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds

About 3,3,4,4,6-pentamethylpyridine

3,3,4,4,6-pentamethylpyridine (PubChem CID 67362875) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,3,4,4,6-pentamethylpyridine.

Molecular Properties

Compound Name3,3,4,4,6-pentamethylpyridine
PubChem CID67362875
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,3,4,4,6-pentamethylpyridine
SMILESCC1=CC(C)(C)C(C)(C)C=N1
InChIInChI=1S/C10H17N/c1-8-6-9(2,3)10(4,5)7-11-8/h6-7H,1-5H3
InChIKeyARSZBBMKCAFMTE-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,6-pentamethylpyridine?
The IUPAC name of 3,3,4,4,6-pentamethylpyridine (CID 67362875) is 3,3,4,4,6-pentamethylpyridine.
What is the SMILES notation for 3,3,4,4,6-pentamethylpyridine?
The canonical SMILES for 3,3,4,4,6-pentamethylpyridine is CC1=CC(C)(C)C(C)(C)C=N1.
What is the InChIKey of 3,3,4,4,6-pentamethylpyridine?
The InChIKey is ARSZBBMKCAFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-9(2,3)10(4,5)7-11-8/h6-7H,1-5H3.
What are the key properties of 3,3,4,4,6-pentamethylpyridine?
3,3,4,4,6-pentamethylpyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,6-pentamethylpyridine is sourced from PubChem (CID 67362875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).