2,6-di(cyclooctyl)-1,2-dihydropyridine

C21H35N — CID 173279074

IUPAC2,6-di(cyclooctyl)-1,2-dihydropyridine
SMILESC1=CC(C2CCCCCCC2)NC(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/h11,16-20,22H,1-10,12-15H2
InChIKeyUGUIUQJXMVSSOK-UHFFFAOYSA-N
MW301.52 g/mol
LogP6.12
Rot. Bonds2

About 2,6-di(cyclooctyl)-1,2-dihydropyridine

2,6-di(cyclooctyl)-1,2-dihydropyridine (PubChem CID 173279074) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 2,6-di(cyclooctyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-di(cyclooctyl)-1,2-dihydropyridine
PubChem CID173279074
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name2,6-di(cyclooctyl)-1,2-dihydropyridine
SMILESC1=CC(C2CCCCCCC2)NC(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/h11,16-20,22H,1-10,12-15H2
InChIKeyUGUIUQJXMVSSOK-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclooctyl)-1,2-dihydropyridine?
The IUPAC name of 2,6-di(cyclooctyl)-1,2-dihydropyridine (CID 173279074) is 2,6-di(cyclooctyl)-1,2-dihydropyridine.
What is the SMILES notation for 2,6-di(cyclooctyl)-1,2-dihydropyridine?
The canonical SMILES for 2,6-di(cyclooctyl)-1,2-dihydropyridine is C1=CC(C2CCCCCCC2)NC(C2CCCCCCC2)=C1.
What is the InChIKey of 2,6-di(cyclooctyl)-1,2-dihydropyridine?
The InChIKey is UGUIUQJXMVSSOK-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/h11,16-20,22H,1-10,12-15H2.
What are the key properties of 2,6-di(cyclooctyl)-1,2-dihydropyridine?
2,6-di(cyclooctyl)-1,2-dihydropyridine has a molecular weight of 301.52 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclooctyl)-1,2-dihydropyridine is sourced from PubChem (CID 173279074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).