1-(1-ethylcyclohexyl)-2H-pyridine

C13H21N — CID 122439241

IUPAC1-(1-ethylcyclohexyl)-2H-pyridine
SMILESCCC1(N2C=CC=CC2)CCCCC1
InChIInChI=1S/C13H21N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3
InChIKeyXMNSWUZWRBGYHX-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.48
Rot. Bonds2

About 1-(1-ethylcyclohexyl)-2H-pyridine

1-(1-ethylcyclohexyl)-2H-pyridine (PubChem CID 122439241) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)-2H-pyridine.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)-2H-pyridine
PubChem CID122439241
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(1-ethylcyclohexyl)-2H-pyridine
SMILESCCC1(N2C=CC=CC2)CCCCC1
InChIInChI=1S/C13H21N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3
InChIKeyXMNSWUZWRBGYHX-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)-2H-pyridine?
The IUPAC name of 1-(1-ethylcyclohexyl)-2H-pyridine (CID 122439241) is 1-(1-ethylcyclohexyl)-2H-pyridine.
What is the SMILES notation for 1-(1-ethylcyclohexyl)-2H-pyridine?
The canonical SMILES for 1-(1-ethylcyclohexyl)-2H-pyridine is CCC1(N2C=CC=CC2)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)-2H-pyridine?
The InChIKey is XMNSWUZWRBGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3.
What are the key properties of 1-(1-ethylcyclohexyl)-2H-pyridine?
1-(1-ethylcyclohexyl)-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)-2H-pyridine is sourced from PubChem (CID 122439241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).