dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)

C20H54Cu2N4O2+6 — CID 4558005

IUPACdicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
SMILESCCN(CC)CCN(CC)CC.CCN(CC)CCN(CC)CC.[Cu+2].[Cu+2].[OH3+].[OH3+]
InChIInChI=1S/2C10H24N2.2Cu.2H2O/c2*1-5-11(6-2)9-10-12(7-3)8-4;;;;/h2*5-10H2,1-4H3;;;2*1H2/q;;2*+2;;/p+2
InChIKeyYIESFVKUZQYASY-UHFFFAOYSA-P
MW509.77 g/mol
LogP1.49
Rot. Bonds14

About dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)

dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine) (PubChem CID 4558005) has the molecular formula C20H54Cu2N4O2+6 and a molecular weight of 509.77 g/mol. Its IUPAC name is dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine).

Molecular Properties

Compound Namedicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
PubChem CID4558005
Molecular FormulaC20H54Cu2N4O2+6
Molecular Weight509.77 g/mol
Exact Mass508.28
IUPAC Namedicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
SMILESCCN(CC)CCN(CC)CC.CCN(CC)CCN(CC)CC.[Cu+2].[Cu+2].[OH3+].[OH3+]
InChIInChI=1S/2C10H24N2.2Cu.2H2O/c2*1-5-11(6-2)9-10-12(7-3)8-4;;;;/h2*5-10H2,1-4H3;;;2*1H2/q;;2*+2;;/p+2
InChIKeyYIESFVKUZQYASY-UHFFFAOYSA-P
XLogP1.49
TPSA78.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.77
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
N,N,N'-triethyl-N'-oxidoethane-1,2-diamine
CID 172556046
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;ethane
CID 22114990
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
CID 58998211
CID 58998211

Frequently Asked Questions

What is the IUPAC name of dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)?
The IUPAC name of dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine) (CID 4558005) is dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine).
What is the SMILES notation for dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)?
The canonical SMILES for dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine) is CCN(CC)CCN(CC)CC.CCN(CC)CCN(CC)CC.[Cu+2].[Cu+2].[OH3+].[OH3+].
What is the InChIKey of dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)?
The InChIKey is YIESFVKUZQYASY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C10H24N2.2Cu.2H2O/c2*1-5-11(6-2)9-10-12(7-3)8-4;;;;/h2*5-10H2,1-4H3;;;2*1H2/q;;2*+2;;/p+2.
What are the key properties of dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)?
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine) has a molecular weight of 509.77 g/mol, XLogP of 1.49, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine) is sourced from PubChem (CID 4558005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).