2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)

C22H28N4Ni+2 — CID 158655224

IUPAC2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+2]
InChIInChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+2/b23-21-,24-22-;
InChIKeyICAWQHSSTNAICC-ZVDJXTMWSA-N
MW407.19 g/mol
LogP4.56
Rot. Bonds2

About 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)

2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+) (PubChem CID 158655224) has the molecular formula C22H28N4Ni+2 and a molecular weight of 407.19 g/mol. Its IUPAC name is 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+).

Molecular Properties

Compound Name2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
PubChem CID158655224
Molecular FormulaC22H28N4Ni+2
Molecular Weight407.19 g/mol
Exact Mass406.17
IUPAC Name2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+2]
InChIInChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+2/b23-21-,24-22-;
InChIKeyICAWQHSSTNAICC-ZVDJXTMWSA-N
XLogP4.56
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
CID 87959854
N-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]-3,6-dimethylphenyl]-1,3-dimethylimidazolidin-2-imine
CID 101444395
N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine
CID 135011052
4-N,5-N,9-N,10-N-tetrakis(2,6-dimethylphenyl)pyrene-4,5,9,10-tetraimine
CID 102141031
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
CID 22638444
1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel
CID 140654146
2,4,6-tris(2,6-dimethylphenyl)-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
CID 140908098
1-N,2-N-bis(2,6-dimethylphenyl)-3,3a,4,5,5a,6,7,8,8a,8b-decahydroacenaphthylene-1,2-diimine
CID 134838632
2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol
CID 123497826

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)?
The IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+) (CID 158655224) is 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+).
What is the SMILES notation for 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)?
The canonical SMILES for 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+) is Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+2].
What is the InChIKey of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)?
The InChIKey is ICAWQHSSTNAICC-ZVDJXTMWSA-N. The full InChI is InChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+2/b23-21-,24-22-;.
What are the key properties of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)?
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+) has a molecular weight of 407.19 g/mol, XLogP of 4.56, 2 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(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+) is sourced from PubChem (CID 158655224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).