N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel

C19H23N2Ni- — CID 59881388

IUPACN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
SMILESCc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C.[CH3-].[Ni]
InChIInChI=1S/C18H20N2.CH3.Ni/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;/h5-12H,1-4H3;1H3;/q;-1;/b19-11+,20-12+;;
InChIKeyHYRPCMSIDOPJHL-GAMUHHASSA-N
MW338.10 g/mol
LogP5.47
Rot. Bonds3

About N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel

N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel (PubChem CID 59881388) has the molecular formula C19H23N2Ni- and a molecular weight of 338.10 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
PubChem CID59881388
Molecular FormulaC19H23N2Ni-
Molecular Weight338.10 g/mol
Exact Mass337.12
IUPAC NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
SMILESCc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C.[CH3-].[Ni]
InChIInChI=1S/C18H20N2.CH3.Ni/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;/h5-12H,1-4H3;1H3;/q;-1;/b19-11+,20-12+;;
InChIKeyHYRPCMSIDOPJHL-GAMUHHASSA-N
XLogP5.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.10
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
CID 12818328
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine
CID 150901095
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
dichloroiron;N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701898
1-[(2,6-dimethylphenyl)iminomethyl]cyclohexan-1-ol
CID 10466452
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
dichloro-(2,6-dimethylphenyl)iminovanadium
CID 11258603
butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
CID 143995996

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel (CID 59881388) is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel is Cc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C.[CH3-].[Ni].
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel?
The InChIKey is HYRPCMSIDOPJHL-GAMUHHASSA-N. The full InChI is InChI=1S/C18H20N2.CH3.Ni/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4;;/h5-12H,1-4H3;1H3;/q;-1;/b19-11+,20-12+;;.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel?
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel has a molecular weight of 338.10 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel is sourced from PubChem (CID 59881388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).