2,4,6-trimethyl-1,2,3,4-tetrahydropyridine

C8H15N — CID 21326805

IUPAC2,4,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=CC(C)CC(C)N1
InChIInChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h4,6,8-9H,5H2,1-3H3
InChIKeyGYZLPQOUASDQLR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds

About 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine

2,4,6-trimethyl-1,2,3,4-tetrahydropyridine (PubChem CID 21326805) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2,4,6-trimethyl-1,2,3,4-tetrahydropyridine
PubChem CID21326805
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,4,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=CC(C)CC(C)N1
InChIInChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h4,6,8-9H,5H2,1-3H3
InChIKeyGYZLPQOUASDQLR-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine (CID 21326805) is 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine is CC1=CC(C)CC(C)N1.
What is the InChIKey of 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is GYZLPQOUASDQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h4,6,8-9H,5H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine?
2,4,6-trimethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 21326805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).