2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)

C24H34N2Ni — CID 59919412

IUPAC2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
SMILESCC(=N\c1ccccc1C(C)C)/C(C)=N/c1ccccc1C(C)C.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C22H28N2.2CH3.Ni/c1-15(2)19-11-7-9-13-21(19)23-17(5)18(6)24-22-14-10-8-12-20(22)16(3)4;;;/h7-16H,1-6H3;2*1H3;/q;2*-1;+2/b23-17+,24-18+;;;
InChIKeyFDLKEXMQOJGIFP-WACBHLOPSA-N
MW409.24 g/mol
LogP7.72
Rot. Bonds5

About 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)

2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+) (PubChem CID 59919412) has the molecular formula C24H34N2Ni and a molecular weight of 409.24 g/mol. Its IUPAC name is 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+).

Molecular Properties

Compound Name2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
PubChem CID59919412
Molecular FormulaC24H34N2Ni
Molecular Weight409.24 g/mol
Exact Mass408.21
IUPAC Name2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
SMILESCC(=N\c1ccccc1C(C)C)/C(C)=N/c1ccccc1C(C)C.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C22H28N2.2CH3.Ni/c1-15(2)19-11-7-9-13-21(19)23-17(5)18(6)24-22-14-10-8-12-20(22)16(3)4;;;/h7-16H,1-6H3;2*1H3;/q;2*-1;+2/b23-17+,24-18+;;;
InChIKeyFDLKEXMQOJGIFP-WACBHLOPSA-N
XLogP7.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.24
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
2-[3-(2-sulfanylphenyl)iminobutan-2-ylideneamino]benzenethiol
CID 136698371
ethyl N'-(2-propan-2-ylphenyl)carbamimidothioate
CID 10537022
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
dichloroiron;1-[2-[C-methyl-N-(2-propan-2-ylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2-propan-2-ylphenyl)ethanimine
CID 140654530
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)?
The IUPAC name of 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+) (CID 59919412) is 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+).
What is the SMILES notation for 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)?
The canonical SMILES for 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+) is CC(=N\c1ccccc1C(C)C)/C(C)=N/c1ccccc1C(C)C.[CH3-].[CH3-].[Ni+2].
What is the InChIKey of 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)?
The InChIKey is FDLKEXMQOJGIFP-WACBHLOPSA-N. The full InChI is InChI=1S/C22H28N2.2CH3.Ni/c1-15(2)19-11-7-9-13-21(19)23-17(5)18(6)24-22-14-10-8-12-20(22)16(3)4;;;/h7-16H,1-6H3;2*1H3;/q;2*-1;+2/b23-17+,24-18+;;;.
What are the key properties of 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)?
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+) has a molecular weight of 409.24 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+) is sourced from PubChem (CID 59919412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).