2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel

C6H14N2NiO2 — CID 20647692

IUPAC2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
SMILESC/N=C(C)/C(C)=N/C.OO.[Ni]
InChIInChI=1S/C6H12N2.Ni.H2O2/c1-5(7-3)6(2)8-4;;1-2/h1-4H3;;1-2H/b7-5+,8-6+;;
InChIKeyVADHHUNTKDNJBG-ZHINHYBUSA-N
MW204.88 g/mol
LogP1.18
Rot. Bonds1

About 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel

2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel (PubChem CID 20647692) has the molecular formula C6H14N2NiO2 and a molecular weight of 204.88 g/mol. Its IUPAC name is 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel.

Molecular Properties

Compound Name2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
PubChem CID20647692
Molecular FormulaC6H14N2NiO2
Molecular Weight204.88 g/mol
Exact Mass204.04
IUPAC Name2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
SMILESC/N=C(C)/C(C)=N/C.OO.[Ni]
InChIInChI=1S/C6H12N2.Ni.H2O2/c1-5(7-3)6(2)8-4;;1-2/h1-4H3;;1-2H/b7-5+,8-6+;;
InChIKeyVADHHUNTKDNJBG-ZHINHYBUSA-N
XLogP1.18
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.88
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-methyliminobut-1-en-2-amine
CID 142085830
3-N-methylbutane-2,3-diimine
CID 58796730
(E)-4-methyl-2-methyliminohex-4-en-3-one
CID 123666831
(E)-2-fluoro-3-methyliminobut-1-en-1-amine
CID 142977565
2-bromo-3-methyliminobut-1-en-1-amine
CID 173494002
(C,N-dimethylcarbonimidoyl)-methylazanide;tungsten
CID 58400091
(Z)-N,3,4,5,5,6,6-heptamethylhept-3-en-2-imine
CID 58299412
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
N'-methylethanimidamide;vanadium
CID 161014708
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
CID 171626416
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel?
The IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel (CID 20647692) is 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel.
What is the SMILES notation for 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel?
The canonical SMILES for 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel is C/N=C(C)/C(C)=N/C.OO.[Ni].
What is the InChIKey of 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel?
The InChIKey is VADHHUNTKDNJBG-ZHINHYBUSA-N. The full InChI is InChI=1S/C6H12N2.Ni.H2O2/c1-5(7-3)6(2)8-4;;1-2/h1-4H3;;1-2H/b7-5+,8-6+;;.
What are the key properties of 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel?
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel has a molecular weight of 204.88 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel is sourced from PubChem (CID 20647692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).