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

C8H15N — CID 91995265

IUPAC1,2,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1C=CCC(C)N1C
InChIInChI=1S/C8H15N/c1-7-5-4-6-8(2)9(7)3/h4-5,7-8H,6H2,1-3H3
InChIKeyHUVLKOFJABHJKT-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds

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

1,2,6-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 91995265) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,2,6-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2,6-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID91995265
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,2,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1C=CCC(C)N1C
InChIInChI=1S/C8H15N/c1-7-5-4-6-8(2)9(7)3/h4-5,7-8H,6H2,1-3H3
InChIKeyHUVLKOFJABHJKT-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-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
Dropempine
CID 65785
4,6,7,9a-tetrahydro-1H-quinolizine
CID 584299
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
1,2-Dimethyl-1,2,3,6-tetrahydropyridine
CID 565854
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
Pyridine, 1,2,5,6-tetrahydro-1-allyl-, hydrobromide
CID 3056837
1-Methyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3056866
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2,6-trimethyl-3,6-dihydro-2H-pyridine (CID 91995265) is 1,2,6-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2,6-trimethyl-3,6-dihydro-2H-pyridine is CC1C=CCC(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is HUVLKOFJABHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-4-6-8(2)9(7)3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
1,2,6-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 1,2,6-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 91995265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).