2,4,6-tricyclohexyl-2,5-dihydropyridine

C23H37N — CID 54105499

IUPAC2,4,6-tricyclohexyl-2,5-dihydropyridine
SMILESC1=C(C2CCCCC2)CC(C2CCCCC2)=NC1C1CCCCC1
InChIInChI=1S/C23H37N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h16,18-20,22H,1-15,17H2
InChIKeyZZSRRGKPOYOSQX-UHFFFAOYSA-N
MW327.56 g/mol
LogP6.87
Rot. Bonds3

About 2,4,6-tricyclohexyl-2,5-dihydropyridine

2,4,6-tricyclohexyl-2,5-dihydropyridine (PubChem CID 54105499) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 2,4,6-tricyclohexyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2,4,6-tricyclohexyl-2,5-dihydropyridine
PubChem CID54105499
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name2,4,6-tricyclohexyl-2,5-dihydropyridine
SMILESC1=C(C2CCCCC2)CC(C2CCCCC2)=NC1C1CCCCC1
InChIInChI=1S/C23H37N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h16,18-20,22H,1-15,17H2
InChIKeyZZSRRGKPOYOSQX-UHFFFAOYSA-N
XLogP6.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4,6-tricyclohexyl-2,5-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dicyclohexyl-2,5-dihydropyridine
CID 54505284
1,2,3,4,4a,5,6,7,8,8a-Decahydroacridine
CID 69183703
N-[4-[[4-(cyclohexylideneamino)cyclohexa-1,5-dien-1-yl]methyl]cyclohexyl]cyclohexanimine
CID 141858461
(1E)-N,1-Dicyclohexyl-3-cyclohexylidenebutan-1-imine
CID 71397410
(1Z)-N,1,3-Tricyclohexylbut-2-en-1-imine
CID 71397416
(4E)-5-(cyclohexylmethyl)-4-(cyclohexylmethylidene)-3-methyl-2,3-dihydropyrrole
CID 177581281

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tricyclohexyl-2,5-dihydropyridine?
The IUPAC name of 2,4,6-tricyclohexyl-2,5-dihydropyridine (CID 54105499) is 2,4,6-tricyclohexyl-2,5-dihydropyridine.
What is the SMILES notation for 2,4,6-tricyclohexyl-2,5-dihydropyridine?
The canonical SMILES for 2,4,6-tricyclohexyl-2,5-dihydropyridine is C1=C(C2CCCCC2)CC(C2CCCCC2)=NC1C1CCCCC1.
What is the InChIKey of 2,4,6-tricyclohexyl-2,5-dihydropyridine?
The InChIKey is ZZSRRGKPOYOSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h16,18-20,22H,1-15,17H2.
What are the key properties of 2,4,6-tricyclohexyl-2,5-dihydropyridine?
2,4,6-tricyclohexyl-2,5-dihydropyridine has a molecular weight of 327.56 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclohexyl-2,5-dihydropyridine is sourced from PubChem (CID 54105499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).