4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel

C32H53Br2N3NiO2Si2 — CID 21131730

IUPAC4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
SMILESBr[Ni]Br.CC(=N\c1c(C)cccc1C)/C(CCCN(CCO[Si](C)(C)C)CCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C32H53N3O2Si2.2BrH.Ni/c1-25-15-12-16-26(2)31(25)33-29(5)30(34-32-27(3)17-13-18-28(32)4)19-14-20-35(21-23-36-38(6,7)8)22-24-37-39(9,10)11;;;/h12-13,15-18H,14,19-24H2,1-11H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;
InChIKeyXBNTYKCDGAPZSX-OAMUHEOFSA-L
MW786.47 g/mol
LogP10.26
Rot. Bonds15

About 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel

4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel (PubChem CID 21131730) has the molecular formula C32H53Br2N3NiO2Si2 and a molecular weight of 786.47 g/mol. Its IUPAC name is 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel.

Molecular Properties

Compound Name4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
PubChem CID21131730
Molecular FormulaC32H53Br2N3NiO2Si2
Molecular Weight786.47 g/mol
Exact Mass783.14
IUPAC Name4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
SMILESBr[Ni]Br.CC(=N\c1c(C)cccc1C)/C(CCCN(CCO[Si](C)(C)C)CCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C32H53N3O2Si2.2BrH.Ni/c1-25-15-12-16-26(2)31(25)33-29(5)30(34-32-27(3)17-13-18-28(32)4)19-14-20-35(21-23-36-38(6,7)8)22-24-37-39(9,10)11;;;/h12-13,15-18H,14,19-24H2,1-11H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;
InChIKeyXBNTYKCDGAPZSX-OAMUHEOFSA-L
XLogP10.26
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.47
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
CID 21131773
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
5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine
CID 21131778
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)
CID 59075453
2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
CID 21131746
6,7-bis[(2,6-dimethylphenyl)imino]octane-1-sulfonate
CID 101119582
4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
CID 90744181
7-cyclopentyl-2-N,3-N-bis(2,6-dimethylphenyl)heptane-2,3-diimine;tetrachlorotitanium
CID 140632539
4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
CID 21131748
2-N,3-N-bis(2,6-dimethylphenyl)hexane-2,3-diimine;1,4,6,7,8,9-hexabromodibenzo-p-dioxin-2,3-diolate;nickel(2+)
CID 87878745
N-propyl-N-(2-trimethylsilyloxyethyl)propan-1-amine
CID 91750146

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel?
The IUPAC name of 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel (CID 21131730) is 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel.
What is the SMILES notation for 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel?
The canonical SMILES for 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel is Br[Ni]Br.CC(=N\c1c(C)cccc1C)/C(CCCN(CCO[Si](C)(C)C)CCO[Si](C)(C)C)=N/c1c(C)cccc1C.
What is the InChIKey of 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel?
The InChIKey is XBNTYKCDGAPZSX-OAMUHEOFSA-L. The full InChI is InChI=1S/C32H53N3O2Si2.2BrH.Ni/c1-25-15-12-16-26(2)31(25)33-29(5)30(34-32-27(3)17-13-18-28(32)4)19-14-20-35(21-23-36-38(6,7)8)22-24-37-39(9,10)11;;;/h12-13,15-18H,14,19-24H2,1-11H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;.
What are the key properties of 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel?
4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel has a molecular weight of 786.47 g/mol, XLogP of 10.26, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel is sourced from PubChem (CID 21131730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).