2,6-di(cyclooctyl)-2,5-dihydropyridine

C21H35N — CID 54541113

IUPAC2,6-di(cyclooctyl)-2,5-dihydropyridine
SMILESC1=CC(C2CCCCCCC2)N=C(C2CCCCCCC2)C1
InChIInChI=1S/C21H35N/c1-3-7-12-18(13-8-4-1)20-16-11-17-21(22-20)19-14-9-5-2-6-10-15-19/h11,16,18-20H,1-10,12-15,17H2
InChIKeyAADOJHINCLRHQO-UHFFFAOYSA-N
MW301.52 g/mol
LogP6.48
Rot. Bonds2

About 2,6-di(cyclooctyl)-2,5-dihydropyridine

2,6-di(cyclooctyl)-2,5-dihydropyridine (PubChem CID 54541113) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 2,6-di(cyclooctyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-di(cyclooctyl)-2,5-dihydropyridine
PubChem CID54541113
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name2,6-di(cyclooctyl)-2,5-dihydropyridine
SMILESC1=CC(C2CCCCCCC2)N=C(C2CCCCCCC2)C1
InChIInChI=1S/C21H35N/c1-3-7-12-18(13-8-4-1)20-16-11-17-21(22-20)19-14-9-5-2-6-10-15-19/h11,16,18-20H,1-10,12-15,17H2
InChIKeyAADOJHINCLRHQO-UHFFFAOYSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.48
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

2,6-Di(cycloheptyl)-2,5-dihydropyridine
CID 53917931
2,4,6-Tri(cyclooctyl)-2,5-dihydropyridine
CID 54201122
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
2-(2,4-Dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline
CID 123283756
1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine
CID 123339531
13-Propan-2-yl-12-azabicyclo[9.4.0]pentadeca-12,14-diene
CID 132185248
2-Propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
CID 134211928
2-(2-Methylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
CID 134492237
2-(2,2-Dimethylpropyl)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
CID 134546561

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclooctyl)-2,5-dihydropyridine?
The IUPAC name of 2,6-di(cyclooctyl)-2,5-dihydropyridine (CID 54541113) is 2,6-di(cyclooctyl)-2,5-dihydropyridine.
What is the SMILES notation for 2,6-di(cyclooctyl)-2,5-dihydropyridine?
The canonical SMILES for 2,6-di(cyclooctyl)-2,5-dihydropyridine is C1=CC(C2CCCCCCC2)N=C(C2CCCCCCC2)C1.
What is the InChIKey of 2,6-di(cyclooctyl)-2,5-dihydropyridine?
The InChIKey is AADOJHINCLRHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-3-7-12-18(13-8-4-1)20-16-11-17-21(22-20)19-14-9-5-2-6-10-15-19/h11,16,18-20H,1-10,12-15,17H2.
What are the key properties of 2,6-di(cyclooctyl)-2,5-dihydropyridine?
2,6-di(cyclooctyl)-2,5-dihydropyridine has a molecular weight of 301.52 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclooctyl)-2,5-dihydropyridine is sourced from PubChem (CID 54541113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).