4-cyclohexyl-2,5-dihydropyridine

C11H17N — CID 57199246

IUPAC4-cyclohexyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCC2)C1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,9-10H,1-5,7-8H2
InChIKeyGHUCIBBCJWXPHQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds1

About 4-cyclohexyl-2,5-dihydropyridine

4-cyclohexyl-2,5-dihydropyridine (PubChem CID 57199246) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-cyclohexyl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-cyclohexyl-2,5-dihydropyridine
PubChem CID57199246
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-cyclohexyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCC2)C1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,9-10H,1-5,7-8H2
InChIKeyGHUCIBBCJWXPHQ-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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Related Compounds

N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
4-Cyclooctyl-2,5-dihydropyridine
CID 57059572
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
4-Cycloheptyl-2,5-dihydropyridine
CID 57091651
(8aS)-1,4,6,7,8,8a-hexahydroisoquinoline
CID 57106728
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
4,6,7,8,9,9a-hexahydro-3H-2-benzazepine
CID 67535755
(8E)-8-ethylidene-4,4a,5,6,7,8a-hexahydro-3H-isoquinoline
CID 90296464
3,4,6,7,8,8a-Hexahydroisoquinoline
CID 91136261

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,5-dihydropyridine?
The IUPAC name of 4-cyclohexyl-2,5-dihydropyridine (CID 57199246) is 4-cyclohexyl-2,5-dihydropyridine.
What is the SMILES notation for 4-cyclohexyl-2,5-dihydropyridine?
The canonical SMILES for 4-cyclohexyl-2,5-dihydropyridine is C1=NCC=C(C2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyl-2,5-dihydropyridine?
The InChIKey is GHUCIBBCJWXPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,9-10H,1-5,7-8H2.
What are the key properties of 4-cyclohexyl-2,5-dihydropyridine?
4-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 4-cyclohexyl-2,5-dihydropyridine is sourced from PubChem (CID 57199246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).