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

C13H23N — CID 146557976

IUPAC2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine
SMILESCCC1=CCNC(C2CCCCC2)C1
InChIInChI=1S/C13H23N/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12/h8,12-14H,2-7,9-10H2,1H3
InChIKeyXTIYXDOJXXBHHG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds2

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

2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine (PubChem CID 146557976) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine
PubChem CID146557976
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine
SMILESCCC1=CCNC(C2CCCCC2)C1
InChIInChI=1S/C13H23N/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12/h8,12-14H,2-7,9-10H2,1H3
InChIKeyXTIYXDOJXXBHHG-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
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-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine (CID 146557976) is 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine is CCC1=CCNC(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine?
The InChIKey is XTIYXDOJXXBHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12/h8,12-14H,2-7,9-10H2,1H3.
What are the key properties of 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine?
2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 146557976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).