copper(1+);1,4-diazabicyclo[2.2.2]octane

C6H12CuN2+ — CID 10192600

IUPACcopper(1+);1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCN1CC2.[Cu+]
InChIInChI=1S/C6H12N2.Cu/c1-2-8-5-3-7(1)4-6-8;/h1-6H2;/q;+1
InChIKeyIWNVNGOGOORNMG-UHFFFAOYSA-N
MW175.72 g/mol
LogP-0.38
Rot. Bonds

About copper(1+);1,4-diazabicyclo[2.2.2]octane

copper(1+);1,4-diazabicyclo[2.2.2]octane (PubChem CID 10192600) has the molecular formula C6H12CuN2+ and a molecular weight of 175.72 g/mol. Its IUPAC name is copper(1+);1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Namecopper(1+);1,4-diazabicyclo[2.2.2]octane
PubChem CID10192600
Molecular FormulaC6H12CuN2+
Molecular Weight175.72 g/mol
Exact Mass175.03
IUPAC Namecopper(1+);1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCN1CC2.[Cu+]
InChIInChI=1S/C6H12N2.Cu/c1-2-8-5-3-7(1)4-6-8;/h1-6H2;/q;+1
InChIKeyIWNVNGOGOORNMG-UHFFFAOYSA-N
XLogP-0.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.72
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1,4-diazabicyclo[2.2.2]octane);trihydrate
CID 139060935
1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)
CID 16688366
bromoform;1,4-diazabicyclo[2.2.2]octane
CID 139188827
1,4-diazabicyclo[2.2.2]octane;dihydroxy(oxo)phosphanium
CID 71383074
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)
CID 139107497
1,4-diazabicyclo[2.2.2]octane;ethanedithioamide
CID 139194724
1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane
CID 102300822
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
4,7,13-trimethyl-1,4,7,10,13-pentazabicyclo[8.5.4]nonadecane
CID 59108275
1,4,8,11,14,18,23,27-octazapentacyclo[9.9.9.24,8.214,18.223,27]pentatriacontane-6,16,25-triol
CID 169229353
1,4,7,10-tetrazabicyclo[5.5.3]pentadecane
CID 15800439

Frequently Asked Questions

What is the IUPAC name of copper(1+);1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of copper(1+);1,4-diazabicyclo[2.2.2]octane (CID 10192600) is copper(1+);1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for copper(1+);1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for copper(1+);1,4-diazabicyclo[2.2.2]octane is C1CN2CCN1CC2.[Cu+].
What is the InChIKey of copper(1+);1,4-diazabicyclo[2.2.2]octane?
The InChIKey is IWNVNGOGOORNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.Cu/c1-2-8-5-3-7(1)4-6-8;/h1-6H2;/q;+1.
What are the key properties of copper(1+);1,4-diazabicyclo[2.2.2]octane?
copper(1+);1,4-diazabicyclo[2.2.2]octane has a molecular weight of 175.72 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 10192600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).