1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)

C12H30Al2N2 — CID 16688366

IUPAC1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)
SMILESC1CN2CCN1CC2.C[Al](C)C.C[Al](C)C
InChIInChI=1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;
InChIKeyWSTAITCRSVOCTK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds

About 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)

1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane) (PubChem CID 16688366) has the molecular formula C12H30Al2N2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane).

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)
PubChem CID16688366
Molecular FormulaC12H30Al2N2
Molecular Weight256.35 g/mol
Exact Mass256.20
IUPAC Name1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)
SMILESC1CN2CCN1CC2.C[Al](C)C.C[Al](C)C
InChIInChI=1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;
InChIKeyWSTAITCRSVOCTK-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane
CID 408693
1-Methyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide
CID 10422413
1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane
CID 423919
4-Aza-1-azoniabicyclo[2.2.2]octane, 1-butyl-
CID 11467033
1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane dibromide
CID 12261411
1,4-Dimethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium iodide
CID 12903806
1-Ethyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 13601193
1,4-Dimethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium hydroxide
CID 14299702
1-(Chloromethyl)-4-methyl-1,4-diazoniabicyclo[2.2.2]octane
CID 15483464
1-Ethyl-1,4-diazabicyclo[2.2.2]octan-1-ium bromide
CID 15849983
1-Propyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 15849987
CID 16692484
CID 16692484

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane) (CID 16688366) is 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane).
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane) is C1CN2CCN1CC2.C[Al](C)C.C[Al](C)C.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)?
The InChIKey is WSTAITCRSVOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.6CH3.2Al/c1-2-8-5-3-7(1)4-6-8;;;;;;;;/h1-6H2;6*1H3;;.
What are the key properties of 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane)?
1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane) has a molecular weight of 256.35 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octane;bis(trimethylalumane) is sourced from PubChem (CID 16688366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).