2,4,6-trimethyl-2,3,4,5-tetrahydropyridine

C8H15N — CID 54351617

IUPAC2,4,6-trimethyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C)CC(C)C1
InChIInChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h6-7H,4-5H2,1-3H3
InChIKeyUGEGIJFBDGJURL-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds

About 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine

2,4,6-trimethyl-2,3,4,5-tetrahydropyridine (PubChem CID 54351617) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2,4,6-trimethyl-2,3,4,5-tetrahydropyridine
PubChem CID54351617
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,4,6-trimethyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C)CC(C)C1
InChIInChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h6-7H,4-5H2,1-3H3
InChIKeyUGEGIJFBDGJURL-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

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Related Compounds

2-Cyclohexylimino-3-methylbutane
CID 557874
Amine,cyclohexyl,(2,4-dimethylpentylidene-3)
CID 637643
N-cyclohexyl-2-methylcyclohexan-1-imine
CID 12527862
N-cyclohexyl-4-methylpentan-2-imine
CID 12538105
3,4,5,6-Tetrahydro-2,3,3-trimethylpyridine
CID 13157776
2-Methyl-3,3a,4,5,6,7-hexahydro-2H-indole
CID 14663696
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
6-Butan-2-yl-2,3,4,5-tetrahydropyridine
CID 134926218
(3R,5S)-3-methyl-8-azabicyclo[3.2.1]oct-1(8)-ene
CID 163646465
5-Fluoro-6-propan-2-yl-2,3,4,5-tetrahydropyridine
CID 172343921
Pyrroline, 2-isobutyl
CID 58280054
N,1-dicyclohexylethanimine
CID 11095814

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine (CID 54351617) is 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine is CC1=NC(C)CC(C)C1.
What is the InChIKey of 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine?
The InChIKey is UGEGIJFBDGJURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-7(2)9-8(3)5-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine?
2,4,6-trimethyl-2,3,4,5-tetrahydropyridine 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 2,4,6-trimethyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54351617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).