1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel

C26H34Cl2N2Ni — CID 140654146

IUPAC1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/C(C)(C)CCC/1(C)C.Cl[Ni]Cl
InChIInChI=1S/C26H34N2.2ClH.Ni/c1-17-11-9-12-18(2)21(17)27-23-24(26(7,8)16-15-25(23,5)6)28-22-19(3)13-10-14-20(22)4;;;/h9-14H,15-16H2,1-8H3;2*1H;/q;;;+2/p-2/b27-23-,28-24-;;;
InChIKeyRHILGGWFBCAHFM-DIMUDFFMSA-L
MW504.17 g/mol
LogP8.99
Rot. Bonds2

About 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel

1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel (PubChem CID 140654146) has the molecular formula C26H34Cl2N2Ni and a molecular weight of 504.17 g/mol. Its IUPAC name is 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel.

Molecular Properties

Compound Name1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel
PubChem CID140654146
Molecular FormulaC26H34Cl2N2Ni
Molecular Weight504.17 g/mol
Exact Mass502.15
IUPAC Name1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/C(C)(C)CCC/1(C)C.Cl[Ni]Cl
InChIInChI=1S/C26H34N2.2ClH.Ni/c1-17-11-9-12-18(2)21(17)27-23-24(26(7,8)16-15-25(23,5)6)28-22-19(3)13-10-14-20(22)4;;;/h9-14H,15-16H2,1-8H3;2*1H;/q;;;+2/p-2/b27-23-,28-24-;;;
InChIKeyRHILGGWFBCAHFM-DIMUDFFMSA-L
XLogP8.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.17
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel with MolForge

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Related Compounds

3-methyl-2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylideneamino]benzoic acid
CID 67875463
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CID 14947856
3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine
CID 140654314
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
CID 87959854
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
CID 158655224
4-N,5-N,9-N,10-N-tetrakis(2,6-dimethylphenyl)pyrene-4,5,9,10-tetraimine
CID 102141031
dichloro-(2,6-dimethylphenyl)iminovanadium
CID 11258603
1-N,2-N-bis(2,6-dimethylphenyl)-3,3a,4,5,5a,6,7,8,8a,8b-decahydroacenaphthylene-1,2-diimine
CID 134838632
N-(2,6-dimethylphenyl)-1,2,2,3-tetrakis(trimethylsilyl)-1,2,3-trisilabicyclo[1.1.1]pentan-4-imine
CID 102599168
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
2-N-(2,6-dimethylphenyl)-3-N-(2,4,6-trimethylphenyl)-1,4-dithiane-2,3-diimine
CID 20582762
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-benzodithiine-2,3-diimine
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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel?
The IUPAC name of 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel (CID 140654146) is 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel.
What is the SMILES notation for 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel?
The canonical SMILES for 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel is Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/C(C)(C)CCC/1(C)C.Cl[Ni]Cl.
What is the InChIKey of 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel?
The InChIKey is RHILGGWFBCAHFM-DIMUDFFMSA-L. The full InChI is InChI=1S/C26H34N2.2ClH.Ni/c1-17-11-9-12-18(2)21(17)27-23-24(26(7,8)16-15-25(23,5)6)28-22-19(3)13-10-14-20(22)4;;;/h9-14H,15-16H2,1-8H3;2*1H;/q;;;+2/p-2/b27-23-,28-24-;;;.
What are the key properties of 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel?
1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel has a molecular weight of 504.17 g/mol, XLogP of 8.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel is sourced from PubChem (CID 140654146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).