bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate

C8H36N8Ni3O10 — CID 50934623

IUPACbis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
SMILESCN(C)CCN.CN(C)CCN.O.O.[Ni+2].[Ni+2].[Ni].[O-]NO.[O-]NO.[O-]NO.[O-]NO
InChIInChI=1S/2C4H12N2.4H2NO2.3Ni.2H2O/c2*1-6(2)4-3-5;4*2-1-3;;;;;/h2*3-5H2,1-2H3;4*1-2H;;;;2*1H2/q;;4*-1;;2*+2;;
InChIKeyNGBVWASCXMWRBV-UHFFFAOYSA-N
MW580.50 g/mol
LogP-4.79
Rot. Bonds4

About bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate

bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate (PubChem CID 50934623) has the molecular formula C8H36N8Ni3O10 and a molecular weight of 580.50 g/mol. Its IUPAC name is bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate.

Molecular Properties

Compound Namebis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
PubChem CID50934623
Molecular FormulaC8H36N8Ni3O10
Molecular Weight580.50 g/mol
Exact Mass578.06
IUPAC Namebis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
SMILESCN(C)CCN.CN(C)CCN.O.O.[Ni+2].[Ni+2].[Ni].[O-]NO.[O-]NO.[O-]NO.[O-]NO
InChIInChI=1S/2C4H12N2.4H2NO2.3Ni.2H2O/c2*1-6(2)4-3-5;4*2-1-3;;;;;/h2*3-5H2,1-2H3;4*1-2H;;;;2*1H2/q;;4*-1;;2*+2;;
InChIKeyNGBVWASCXMWRBV-UHFFFAOYSA-N
XLogP-4.79
TPSA342.80 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500580.50
LogP ≤ 5-4.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(N',N'-dimethylethane-1,2-diamine);nickel(2+);diperchlorate
CID 12057472
carbamodithioic acid;N',N'-dimethylethane-1,2-diamine
CID 174232024
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
CID 6397018
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
CID 173338058
CID 173338058
CID 88826921
CID 88826921
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol
CID 175385477
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
N',N'-dimethylicosane-1,20-diamine
CID 54351766

Frequently Asked Questions

What is the IUPAC name of bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate?
The IUPAC name of bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate (CID 50934623) is bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate.
What is the SMILES notation for bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate?
The canonical SMILES for bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate is CN(C)CCN.CN(C)CCN.O.O.[Ni+2].[Ni+2].[Ni].[O-]NO.[O-]NO.[O-]NO.[O-]NO.
What is the InChIKey of bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate?
The InChIKey is NGBVWASCXMWRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2.4H2NO2.3Ni.2H2O/c2*1-6(2)4-3-5;4*2-1-3;;;;;/h2*3-5H2,1-2H3;4*1-2H;;;;2*1H2/q;;4*-1;;2*+2;;.
What are the key properties of bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate?
bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate has a molecular weight of 580.50 g/mol, XLogP of -4.79, 4 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate is sourced from PubChem (CID 50934623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).