1-cyclohexyl-2H-pyridine

C11H17N — CID 70123462

IUPAC1-cyclohexyl-2H-pyridine
SMILESC1=CCN(C2CCCCC2)C=C1
InChIInChI=1S/C11H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2,5-6,9,11H,1,3-4,7-8,10H2
InChIKeyPTRDWYQQFOIHNQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.70
Rot. Bonds1

About 1-cyclohexyl-2H-pyridine

1-cyclohexyl-2H-pyridine (PubChem CID 70123462) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-cyclohexyl-2H-pyridine.

Molecular Properties

Compound Name1-cyclohexyl-2H-pyridine
PubChem CID70123462
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-cyclohexyl-2H-pyridine
SMILESC1=CCN(C2CCCCC2)C=C1
InChIInChI=1S/C11H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2,5-6,9,11H,1,3-4,7-8,10H2
InChIKeyPTRDWYQQFOIHNQ-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2H-pyridine?
The IUPAC name of 1-cyclohexyl-2H-pyridine (CID 70123462) is 1-cyclohexyl-2H-pyridine.
What is the SMILES notation for 1-cyclohexyl-2H-pyridine?
The canonical SMILES for 1-cyclohexyl-2H-pyridine is C1=CCN(C2CCCCC2)C=C1.
What is the InChIKey of 1-cyclohexyl-2H-pyridine?
The InChIKey is PTRDWYQQFOIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2,5-6,9,11H,1,3-4,7-8,10H2.
What are the key properties of 1-cyclohexyl-2H-pyridine?
1-cyclohexyl-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2H-pyridine is sourced from PubChem (CID 70123462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).