2,6-dicyclohexyl-2,5-dihydropyridine

C17H27N — CID 54505284

IUPAC2,6-dicyclohexyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCC2)N=C(C2CCCCC2)C1
InChIInChI=1S/C17H27N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-16H,1-6,8-11,13H2
InChIKeyWLXSYYBJJNYTDZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.92
Rot. Bonds2

About 2,6-dicyclohexyl-2,5-dihydropyridine

2,6-dicyclohexyl-2,5-dihydropyridine (PubChem CID 54505284) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,6-dicyclohexyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-dicyclohexyl-2,5-dihydropyridine
PubChem CID54505284
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,6-dicyclohexyl-2,5-dihydropyridine
SMILESC1=CC(C2CCCCC2)N=C(C2CCCCC2)C1
InChIInChI=1S/C17H27N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-16H,1-6,8-11,13H2
InChIKeyWLXSYYBJJNYTDZ-UHFFFAOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.92
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

1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
2,4,6-Tricyclohexyl-2,5-dihydropyridine
CID 54105499
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
9-Pentyl-1,2,3,4,6,7,8,10b-octahydrophenanthridine
CID 57098349
5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
CID 57124859
1,2,3,4,6,7,8,10b-Octahydrophenanthridine
CID 57323299
N-cyclohexyl-4-prop-2-enylcyclohexan-1-imine
CID 67395549
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
1,2,3,4,4a,5,6,7,8,8a-Decahydroacridine
CID 69183703
1-Cyclohex-3-en-1-yl-3-methyl-1,4,4a,5,6,7,8,8a-octahydroisoquinoline
CID 90269860
1,4,4a,5,6,7,9,9a-Octahydroacridine
CID 91181236
2,3,4,4a,7,8-Hexahydroquinoline
CID 91449721

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-2,5-dihydropyridine?
The IUPAC name of 2,6-dicyclohexyl-2,5-dihydropyridine (CID 54505284) is 2,6-dicyclohexyl-2,5-dihydropyridine.
What is the SMILES notation for 2,6-dicyclohexyl-2,5-dihydropyridine?
The canonical SMILES for 2,6-dicyclohexyl-2,5-dihydropyridine is C1=CC(C2CCCCC2)N=C(C2CCCCC2)C1.
What is the InChIKey of 2,6-dicyclohexyl-2,5-dihydropyridine?
The InChIKey is WLXSYYBJJNYTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h7,12,14-16H,1-6,8-11,13H2.
What are the key properties of 2,6-dicyclohexyl-2,5-dihydropyridine?
2,6-dicyclohexyl-2,5-dihydropyridine has a molecular weight of 245.41 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-2,5-dihydropyridine is sourced from PubChem (CID 54505284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).