2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine

C25H34Br2N2OSi — CID 21131746

IUPAC2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
SMILESCC(=N\c1c(C)cc(Br)cc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Br)cc1C
InChIInChI=1S/C25H34Br2N2OSi/c1-16-12-21(26)13-17(2)24(16)28-20(5)23(10-9-11-30-31(6,7)8)29-25-18(3)14-22(27)15-19(25)4/h12-15H,9-11H2,1-8H3/b28-20+,29-23+
InChIKeySGMPUVWKWAKMQN-NHYOMVJSSA-N
MW566.45 g/mol
LogP8.94
Rot. Bonds8

About 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine

2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine (PubChem CID 21131746) has the molecular formula C25H34Br2N2OSi and a molecular weight of 566.45 g/mol. Its IUPAC name is 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
PubChem CID21131746
Molecular FormulaC25H34Br2N2OSi
Molecular Weight566.45 g/mol
Exact Mass564.08
IUPAC Name2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
SMILESCC(=N\c1c(C)cc(Br)cc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Br)cc1C
InChIInChI=1S/C25H34Br2N2OSi/c1-16-12-21(26)13-17(2)24(16)28-20(5)23(10-9-11-30-31(6,7)8)29-25-18(3)14-22(27)15-19(25)4/h12-15H,9-11H2,1-8H3/b28-20+,29-23+
InChIKeySGMPUVWKWAKMQN-NHYOMVJSSA-N
XLogP8.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.45
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
CID 21131751
4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
CID 21131730
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
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
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
7-cyclopentyl-2-N,3-N-bis(2,6-dimethylphenyl)heptane-2,3-diimine;tetrachlorotitanium
CID 140632539
N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]pentan-2-imine
CID 153345914
5,11,17,23-tetrabromo-2,8,14,20-tetrakis(3-trimethylsilyloxypropyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 10725129
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
5-(4-bromo-2-methyl-6-nitrophenoxy)pentan-2-one
CID 79844964
[4,5-dimethyl-2-(2-trimethylsilyloxyethyl)phenyl]boronic acid
CID 11391464

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine (CID 21131746) is 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine is CC(=N\c1c(C)cc(Br)cc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cc(Br)cc1C.
What is the InChIKey of 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine?
The InChIKey is SGMPUVWKWAKMQN-NHYOMVJSSA-N. The full InChI is InChI=1S/C25H34Br2N2OSi/c1-16-12-21(26)13-17(2)24(16)28-20(5)23(10-9-11-30-31(6,7)8)29-25-18(3)14-22(27)15-19(25)4/h12-15H,9-11H2,1-8H3/b28-20+,29-23+.
What are the key properties of 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine?
2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine has a molecular weight of 566.45 g/mol, XLogP of 8.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine is sourced from PubChem (CID 21131746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).