5,6-dimethyl-1,2,3,4-tetrahydropyridine

C7H13N — CID 22901330

IUPAC5,6-dimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NCCC1
InChIInChI=1S/C7H13N/c1-6-4-3-5-8-7(6)2/h8H,3-5H2,1-2H3
InChIKeyCHXZJEVKLSRVMA-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.66
Rot. Bonds

About 5,6-dimethyl-1,2,3,4-tetrahydropyridine

5,6-dimethyl-1,2,3,4-tetrahydropyridine (PubChem CID 22901330) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5,6-dimethyl-1,2,3,4-tetrahydropyridine
PubChem CID22901330
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5,6-dimethyl-1,2,3,4-tetrahydropyridine
SMILESCC1=C(C)NCCC1
InChIInChI=1S/C7H13N/c1-6-4-3-5-8-7(6)2/h8H,3-5H2,1-2H3
InChIKeyCHXZJEVKLSRVMA-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5,6-dimethyl-1,2,3,4-tetrahydropyridine (CID 22901330) is 5,6-dimethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5,6-dimethyl-1,2,3,4-tetrahydropyridine is CC1=C(C)NCCC1.
What is the InChIKey of 5,6-dimethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is CHXZJEVKLSRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-3-5-8-7(6)2/h8H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-1,2,3,4-tetrahydropyridine?
5,6-dimethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 111.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 22901330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).