1,4,6-trimethyl-3,6-dihydro-2H-pyridine

C8H15N — CID 23423765

IUPAC1,4,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)N(C)CC1
InChIInChI=1S/C8H15N/c1-7-4-5-9(3)8(2)6-7/h6,8H,4-5H2,1-3H3
InChIKeyIRYUWNFNGARGSM-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds

About 1,4,6-trimethyl-3,6-dihydro-2H-pyridine

1,4,6-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 23423765) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,4,6-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4,6-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID23423765
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,4,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)N(C)CC1
InChIInChI=1S/C8H15N/c1-7-4-5-9(3)8(2)6-7/h6,8H,4-5H2,1-3H3
InChIKeyIRYUWNFNGARGSM-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
4-Ethynyl-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10443130
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
3-Ethyl-1-methyl-1,2,5,6-tetrahydro-2-pyridinecarbonitrile
CID 11829628
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,4,6-trimethyl-3,6-dihydro-2H-pyridine (CID 23423765) is 1,4,6-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,4,6-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,4,6-trimethyl-3,6-dihydro-2H-pyridine is CC1=CC(C)N(C)CC1.
What is the InChIKey of 1,4,6-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is IRYUWNFNGARGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-5-9(3)8(2)6-7/h6,8H,4-5H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-3,6-dihydro-2H-pyridine?
1,4,6-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 23423765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).