copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate

C12H34ClCuN4O — CID 173148949

IUPACcopper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.O.[Cl-].[Cu+]
InChIInChI=1S/2C6H16N2.ClH.Cu.H2O/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;1H;;1H2/q;;;+1;/p-1
InChIKeyOBOAGIMHQNWJLA-UHFFFAOYSA-M
MW349.43 g/mol
LogP-3.60
Rot. Bonds6

About copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate

copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate (PubChem CID 173148949) has the molecular formula C12H34ClCuN4O and a molecular weight of 349.43 g/mol. Its IUPAC name is copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate.

Molecular Properties

Compound Namecopper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
PubChem CID173148949
Molecular FormulaC12H34ClCuN4O
Molecular Weight349.43 g/mol
Exact Mass348.17
IUPAC Namecopper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.O.[Cl-].[Cu+]
InChIInChI=1S/2C6H16N2.ClH.Cu.H2O/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;1H;;1H2/q;;;+1;/p-1
InChIKeyOBOAGIMHQNWJLA-UHFFFAOYSA-M
XLogP-3.60
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-3.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate?
The IUPAC name of copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate (CID 173148949) is copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate.
What is the SMILES notation for copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate?
The canonical SMILES for copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate is CN(C)CCN(C)C.CN(C)CCN(C)C.O.[Cl-].[Cu+].
What is the InChIKey of copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate?
The InChIKey is OBOAGIMHQNWJLA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H16N2.ClH.Cu.H2O/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;1H;;1H2/q;;;+1;/p-1.
What are the key properties of copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate?
copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate has a molecular weight of 349.43 g/mol, XLogP of -3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate is sourced from PubChem (CID 173148949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).