3,3,4,5-tetramethyl-2H-pyridine

C9H15N — CID 70245539

IUPAC3,3,4,5-tetramethyl-2H-pyridine
SMILESCC1=C(C)C(C)(C)CN=C1
InChIInChI=1S/C9H15N/c1-7-5-10-6-9(3,4)8(7)2/h5H,6H2,1-4H3
InChIKeyPVXKCLBNANKYFU-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About 3,3,4,5-tetramethyl-2H-pyridine

3,3,4,5-tetramethyl-2H-pyridine (PubChem CID 70245539) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,3,4,5-tetramethyl-2H-pyridine.

Molecular Properties

Compound Name3,3,4,5-tetramethyl-2H-pyridine
PubChem CID70245539
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,3,4,5-tetramethyl-2H-pyridine
SMILESCC1=C(C)C(C)(C)CN=C1
InChIInChI=1S/C9H15N/c1-7-5-10-6-9(3,4)8(7)2/h5H,6H2,1-4H3
InChIKeyPVXKCLBNANKYFU-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,4,5-tetramethyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetramethyl-2H-pyridine?
The IUPAC name of 3,3,4,5-tetramethyl-2H-pyridine (CID 70245539) is 3,3,4,5-tetramethyl-2H-pyridine.
What is the SMILES notation for 3,3,4,5-tetramethyl-2H-pyridine?
The canonical SMILES for 3,3,4,5-tetramethyl-2H-pyridine is CC1=C(C)C(C)(C)CN=C1.
What is the InChIKey of 3,3,4,5-tetramethyl-2H-pyridine?
The InChIKey is PVXKCLBNANKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-10-6-9(3,4)8(7)2/h5H,6H2,1-4H3.
What are the key properties of 3,3,4,5-tetramethyl-2H-pyridine?
3,3,4,5-tetramethyl-2H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethyl-2H-pyridine is sourced from PubChem (CID 70245539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).