6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine

C12H21N — CID 118357409

IUPAC6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2CCCCC2)NCC1
InChIInChI=1S/C12H21N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h9,11-13H,2-8H2,1H3
InChIKeyXHJAEGJXXDLDCW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.87
Rot. Bonds1

About 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine

6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 118357409) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID118357409
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2CCCCC2)NCC1
InChIInChI=1S/C12H21N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h9,11-13H,2-8H2,1H3
InChIKeyXHJAEGJXXDLDCW-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.87
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 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine (CID 118357409) is 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine is CC1=CC(C2CCCCC2)NCC1.
What is the InChIKey of 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is XHJAEGJXXDLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h9,11-13H,2-8H2,1H3.
What are the key properties of 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine?
6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 179.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118357409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).