2,6-dimethyl-1,2,3,6-tetrahydropyridine

C7H13N — CID 5251736

IUPAC2,6-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCC(C)N1
InChIInChI=1S/C7H13N/c1-6-4-3-5-7(2)8-6/h3-4,6-8H,5H2,1-2H3
InChIKeyBYKSINWBBKKRQC-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds

About 2,6-dimethyl-1,2,3,6-tetrahydropyridine

2,6-dimethyl-1,2,3,6-tetrahydropyridine (PubChem CID 5251736) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,6-dimethyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-1,2,3,6-tetrahydropyridine
PubChem CID5251736
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,6-dimethyl-1,2,3,6-tetrahydropyridine
SMILESCC1C=CCC(C)N1
InChIInChI=1S/C7H13N/c1-6-4-3-5-7(2)8-6/h3-4,6-8H,5H2,1-2H3
InChIKeyBYKSINWBBKKRQC-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2,6-dimethyl-1,2,3,6-tetrahydropyridine (CID 5251736) is 2,6-dimethyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2,6-dimethyl-1,2,3,6-tetrahydropyridine is CC1C=CCC(C)N1.
What is the InChIKey of 2,6-dimethyl-1,2,3,6-tetrahydropyridine?
The InChIKey is BYKSINWBBKKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-3-5-7(2)8-6/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,2,3,6-tetrahydropyridine?
2,6-dimethyl-1,2,3,6-tetrahydropyridine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5251736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).