dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate

C12H36Cl2Cu2N4O2+2 — CID 162639278

IUPACdicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.O.O.[Cl-].[Cl-].[Cu+2].[Cu+2]
InChIInChI=1S/2C6H16N2.2ClH.2Cu.2H2O/c2*1-7(2)5-6-8(3)4;;;;;;/h2*5-6H2,1-4H3;2*1H;;;2*1H2/q;;;;2*+2;;/p-2
InChIKeyXSGFQMSXIWLPOB-UHFFFAOYSA-L
MW466.44 g/mol
LogP-7.43
Rot. Bonds6

About dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate

dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate (PubChem CID 162639278) has the molecular formula C12H36Cl2Cu2N4O2+2 and a molecular weight of 466.44 g/mol. Its IUPAC name is dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate.

Molecular Properties

Compound Namedicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
PubChem CID162639278
Molecular FormulaC12H36Cl2Cu2N4O2+2
Molecular Weight466.44 g/mol
Exact Mass464.08
IUPAC Namedicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.O.O.[Cl-].[Cl-].[Cu+2].[Cu+2]
InChIInChI=1S/2C6H16N2.2ClH.2Cu.2H2O/c2*1-7(2)5-6-8(3)4;;;;;;/h2*5-6H2,1-4H3;2*1H;;;2*1H2/q;;;;2*+2;;/p-2
InChIKeyXSGFQMSXIWLPOB-UHFFFAOYSA-L
XLogP-7.43
TPSA75.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 5-7.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 173338058
CID 173338058
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
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iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
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buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
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N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate?
The IUPAC name of dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate (CID 162639278) is dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate.
What is the SMILES notation for dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate?
The canonical SMILES for dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate is CN(C)CCN(C)C.CN(C)CCN(C)C.O.O.[Cl-].[Cl-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate?
The InChIKey is XSGFQMSXIWLPOB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H16N2.2ClH.2Cu.2H2O/c2*1-7(2)5-6-8(3)4;;;;;;/h2*5-6H2,1-4H3;2*1H;;;2*1H2/q;;;;2*+2;;/p-2.
What are the key properties of dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate?
dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate has a molecular weight of 466.44 g/mol, XLogP of -7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate is sourced from PubChem (CID 162639278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).