4-cyclohexyl-1-ethyl-2H-pyridine

C13H21N — CID 57026355

IUPAC4-cyclohexyl-1-ethyl-2H-pyridine
SMILESCCN1C=CC(C2CCCCC2)=CC1
InChIInChI=1S/C13H21N/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3
InChIKeyTXTCOPBJASSVIS-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds2

About 4-cyclohexyl-1-ethyl-2H-pyridine

4-cyclohexyl-1-ethyl-2H-pyridine (PubChem CID 57026355) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-cyclohexyl-1-ethyl-2H-pyridine.

Molecular Properties

Compound Name4-cyclohexyl-1-ethyl-2H-pyridine
PubChem CID57026355
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-cyclohexyl-1-ethyl-2H-pyridine
SMILESCCN1C=CC(C2CCCCC2)=CC1
InChIInChI=1S/C13H21N/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3
InChIKeyTXTCOPBJASSVIS-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-ethyl-2H-pyridine?
The IUPAC name of 4-cyclohexyl-1-ethyl-2H-pyridine (CID 57026355) is 4-cyclohexyl-1-ethyl-2H-pyridine.
What is the SMILES notation for 4-cyclohexyl-1-ethyl-2H-pyridine?
The canonical SMILES for 4-cyclohexyl-1-ethyl-2H-pyridine is CCN1C=CC(C2CCCCC2)=CC1.
What is the InChIKey of 4-cyclohexyl-1-ethyl-2H-pyridine?
The InChIKey is TXTCOPBJASSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 4-cyclohexyl-1-ethyl-2H-pyridine?
4-cyclohexyl-1-ethyl-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-ethyl-2H-pyridine is sourced from PubChem (CID 57026355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).