dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine

C12H14Br2N4Ni — CID 18721431

IUPACdibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine
SMILESBr[Ni]Br.C/C(=N\c1c(C)cccc1C)n1ccnn1
InChIInChI=1S/C12H14N4.2BrH.Ni/c1-9-5-4-6-10(2)12(9)14-11(3)16-8-7-13-15-16;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2/b14-11+;;;
InChIKeyPKIKNUKFZICWMR-UWCBQFGESA-L
MW432.77 g/mol
LogP4.18
Rot. Bonds1

About dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine

dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine (PubChem CID 18721431) has the molecular formula C12H14Br2N4Ni and a molecular weight of 432.77 g/mol. Its IUPAC name is dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine.

Molecular Properties

Compound Namedibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine
PubChem CID18721431
Molecular FormulaC12H14Br2N4Ni
Molecular Weight432.77 g/mol
Exact Mass429.89
IUPAC Namedibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine
SMILESBr[Ni]Br.C/C(=N\c1c(C)cccc1C)n1ccnn1
InChIInChI=1S/C12H14N4.2BrH.Ni/c1-9-5-4-6-10(2)12(9)14-11(3)16-8-7-13-15-16;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2/b14-11+;;;
InChIKeyPKIKNUKFZICWMR-UWCBQFGESA-L
XLogP4.18
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
copper;1-(2-methylphenyl)triazole
CID 141369525
4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
CID 15323884
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
CID 24941636
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
CID 21131696
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichlorochromium
CID 72644654
acetonitrile;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;carbanide;palladium
CID 59114907
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;2,2-dimethylpropan-1-ol;iron
CID 171405736
4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
CID 21131730

Frequently Asked Questions

What is the IUPAC name of dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine?
The IUPAC name of dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine (CID 18721431) is dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine.
What is the SMILES notation for dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine?
The canonical SMILES for dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine is Br[Ni]Br.C/C(=N\c1c(C)cccc1C)n1ccnn1.
What is the InChIKey of dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine?
The InChIKey is PKIKNUKFZICWMR-UWCBQFGESA-L. The full InChI is InChI=1S/C12H14N4.2BrH.Ni/c1-9-5-4-6-10(2)12(9)14-11(3)16-8-7-13-15-16;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2/b14-11+;;;.
What are the key properties of dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine?
dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine has a molecular weight of 432.77 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;N-(2,6-dimethylphenyl)-1-(triazol-1-yl)ethanimine is sourced from PubChem (CID 18721431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).