[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)

C15H22AlNO+2 — CID 173083776

IUPAC[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
SMILESCC(C)(C)c1cc(C=N[Al+2])c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22NO.Al/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;/h7-9,17H,1-6H3;/q-1;+3
InChIKeyUDEKXJCAIVAXOG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.49
Rot. Bonds1

About [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)

[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+) (PubChem CID 173083776) has the molecular formula C15H22AlNO+2 and a molecular weight of 259.33 g/mol. Its IUPAC name is [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+).

Molecular Properties

Compound Name[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
PubChem CID173083776
Molecular FormulaC15H22AlNO+2
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
SMILESCC(C)(C)c1cc(C=N[Al+2])c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22NO.Al/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;/h7-9,17H,1-6H3;/q-1;+3
InChIKeyUDEKXJCAIVAXOG-UHFFFAOYSA-N
XLogP3.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173215314
CID 173215314
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 156678583
CID 173199978
CID 173199978
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
chlororuthenium(1+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;nitroxyl anion
CID 136631894
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136814344
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639

Frequently Asked Questions

What is the IUPAC name of [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)?
The IUPAC name of [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+) (CID 173083776) is [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+).
What is the SMILES notation for [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)?
The canonical SMILES for [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+) is CC(C)(C)c1cc(C=N[Al+2])c(O)c(C(C)(C)C)c1.
What is the InChIKey of [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)?
The InChIKey is UDEKXJCAIVAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO.Al/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6;/h7-9,17H,1-6H3;/q-1;+3.
What are the key properties of [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)?
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+) has a molecular weight of 259.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+) is sourced from PubChem (CID 173083776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).