2-cyclohexyl-2,5-dihydropyridine

C11H17N — CID 54370120

IUPAC2-cyclohexyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCC2)N=CC1
InChIInChI=1S/C11H17N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4,8-11H,1-3,5-7H2
InChIKeyNBNPNYLNUZCSDZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds1

About 2-cyclohexyl-2,5-dihydropyridine

2-cyclohexyl-2,5-dihydropyridine (PubChem CID 54370120) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-cyclohexyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-cyclohexyl-2,5-dihydropyridine
PubChem CID54370120
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-cyclohexyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCC2)N=CC1
InChIInChI=1S/C11H17N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4,8-11H,1-3,5-7H2
InChIKeyNBNPNYLNUZCSDZ-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 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 ≤ 52.97
H-Bond Donors ≤ 50
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-2,5-dihydropyridine?
The IUPAC name of 2-cyclohexyl-2,5-dihydropyridine (CID 54370120) is 2-cyclohexyl-2,5-dihydropyridine.
What is the SMILES notation for 2-cyclohexyl-2,5-dihydropyridine?
The canonical SMILES for 2-cyclohexyl-2,5-dihydropyridine is C1=CC(C2CCCCC2)N=CC1.
What is the InChIKey of 2-cyclohexyl-2,5-dihydropyridine?
The InChIKey is NBNPNYLNUZCSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4,8-11H,1-3,5-7H2.
What are the key properties of 2-cyclohexyl-2,5-dihydropyridine?
2-cyclohexyl-2,5-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,5-dihydropyridine is sourced from PubChem (CID 54370120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).