3,3,6-trimethyl-4,5-dihydro-2H-pyridine

C8H15N — CID 134923808

IUPAC3,3,6-trimethyl-4,5-dihydro-2H-pyridine
SMILESCC1=NCC(C)(C)CC1
InChIInChI=1S/C8H15N/c1-7-4-5-8(2,3)6-9-7/h4-6H2,1-3H3
InChIKeyWFDUVIDVCODYPC-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 3,3,6-trimethyl-4,5-dihydro-2H-pyridine

3,3,6-trimethyl-4,5-dihydro-2H-pyridine (PubChem CID 134923808) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3,3,6-trimethyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,3,6-trimethyl-4,5-dihydro-2H-pyridine
PubChem CID134923808
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3,3,6-trimethyl-4,5-dihydro-2H-pyridine
SMILESCC1=NCC(C)(C)CC1
InChIInChI=1S/C8H15N/c1-7-4-5-8(2,3)6-9-7/h4-6H2,1-3H3
InChIKeyWFDUVIDVCODYPC-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,6-trimethyl-4,5-dihydro-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 3,3,6-trimethyl-4,5-dihydro-2H-pyridine?
The IUPAC name of 3,3,6-trimethyl-4,5-dihydro-2H-pyridine (CID 134923808) is 3,3,6-trimethyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for 3,3,6-trimethyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for 3,3,6-trimethyl-4,5-dihydro-2H-pyridine is CC1=NCC(C)(C)CC1.
What is the InChIKey of 3,3,6-trimethyl-4,5-dihydro-2H-pyridine?
The InChIKey is WFDUVIDVCODYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-5-8(2,3)6-9-7/h4-6H2,1-3H3.
What are the key properties of 3,3,6-trimethyl-4,5-dihydro-2H-pyridine?
3,3,6-trimethyl-4,5-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 134923808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).