chlorocopper;1,4-diazabicyclo[2.2.2]octane

C6H12ClCuN2 — CID 71310782

IUPACchlorocopper;1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCN1CC2.Cl[Cu]
InChIInChI=1S/C6H12N2.ClH.Cu/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;1H;/q;;+1/p-1
InChIKeyWHZBKEDMTQJFEI-UHFFFAOYSA-M
MW211.17 g/mol
LogP0.30
Rot. Bonds

About chlorocopper;1,4-diazabicyclo[2.2.2]octane

chlorocopper;1,4-diazabicyclo[2.2.2]octane (PubChem CID 71310782) has the molecular formula C6H12ClCuN2 and a molecular weight of 211.17 g/mol. Its IUPAC name is chlorocopper;1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Namechlorocopper;1,4-diazabicyclo[2.2.2]octane
PubChem CID71310782
Molecular FormulaC6H12ClCuN2
Molecular Weight211.17 g/mol
Exact Mass210.00
IUPAC Namechlorocopper;1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCN1CC2.Cl[Cu]
InChIInChI=1S/C6H12N2.ClH.Cu/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;1H;/q;;+1/p-1
InChIKeyWHZBKEDMTQJFEI-UHFFFAOYSA-M
XLogP0.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dabco
CID 9237
4-Aza-1-azoniabicyclo(2.2.2)octane, 1-(chloromethyl)-, chloride (1:1)
CID 10997944
1,4-Diazabicyclo(2.2.2)octane Dihydrochloride
CID 12254369
1,4-Diazabicyclo[2.2.2]octane Dihydrobromide
CID 68117517
4-Aza-1-azoniabicyclo[2.2.2]octane, 1-(chloromethyl)-
CID 10997945
1,4-Diazabicyclo(2.2.2)octane Dihydriodide
CID 86749518
1,4-Diazabicyclo(2.2.2)octane, hydrochloride
CID 519832
1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octane
CID 2724934
Dabco fluoride
CID 129852966
1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide
CID 10422413
Copper, dichloro(1,4-diazabicyclo(2.2.2)octane-kappaN1)-
CID 111930
1-(Cyanomethyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride
CID 2828414

Frequently Asked Questions

What is the IUPAC name of chlorocopper;1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of chlorocopper;1,4-diazabicyclo[2.2.2]octane (CID 71310782) is chlorocopper;1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for chlorocopper;1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for chlorocopper;1,4-diazabicyclo[2.2.2]octane is C1CN2CCN1CC2.Cl[Cu].
What is the InChIKey of chlorocopper;1,4-diazabicyclo[2.2.2]octane?
The InChIKey is WHZBKEDMTQJFEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2.ClH.Cu/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;1H;/q;;+1/p-1.
What are the key properties of chlorocopper;1,4-diazabicyclo[2.2.2]octane?
chlorocopper;1,4-diazabicyclo[2.2.2]octane has a molecular weight of 211.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 71310782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).