N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane

C30H67Al4NO — CID 161133865

IUPACN,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane
SMILESC.CCC.CCOC.CC[Al](CC)C[Al](CC)CC.CC[Al](CC)N(c1ccccc1)[Al](CC)CC
InChIInChI=1S/C6H5N.C3H8O.C3H8.8C2H5.CH4.CH2.4Al/c7-6-4-2-1-3-5-6;1-3-4-2;1-3-2;8*1-2;;;;;;/h1-5H;3H2,1-2H3;3H2,1-2H3;8*1H2,2H3;1H4;1H2;;;;
InChIKeyLSMXRJGSZWXVFJ-UHFFFAOYSA-N
MW565.80 g/mol
LogP10.86
Rot. Bonds14

About N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane

N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane (PubChem CID 161133865) has the molecular formula C30H67Al4NO and a molecular weight of 565.80 g/mol. Its IUPAC name is N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane.

Molecular Properties

Compound NameN,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane
PubChem CID161133865
Molecular FormulaC30H67Al4NO
Molecular Weight565.80 g/mol
Exact Mass565.45
IUPAC NameN,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane
SMILESC.CCC.CCOC.CC[Al](CC)C[Al](CC)CC.CC[Al](CC)N(c1ccccc1)[Al](CC)CC
InChIInChI=1S/C6H5N.C3H8O.C3H8.8C2H5.CH4.CH2.4Al/c7-6-4-2-1-3-5-6;1-3-4-2;1-3-2;8*1-2;;;;;;/h1-5H;3H2,1-2H3;3H2,1-2H3;8*1H2,2H3;1H4;1H2;;;;
InChIKeyLSMXRJGSZWXVFJ-UHFFFAOYSA-N
XLogP10.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.80
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane?
The IUPAC name of N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane (CID 161133865) is N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane.
What is the SMILES notation for N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane?
The canonical SMILES for N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane is C.CCC.CCOC.CC[Al](CC)C[Al](CC)CC.CC[Al](CC)N(c1ccccc1)[Al](CC)CC.
What is the InChIKey of N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane?
The InChIKey is LSMXRJGSZWXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.C3H8O.C3H8.8C2H5.CH4.CH2.4Al/c7-6-4-2-1-3-5-6;1-3-4-2;1-3-2;8*1-2;;;;;;/h1-5H;3H2,1-2H3;3H2,1-2H3;8*1H2,2H3;1H4;1H2;;;;.
What are the key properties of N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane?
N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane has a molecular weight of 565.80 g/mol, XLogP of 10.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diethylalumanyl)aniline;diethylalumanylmethyl(diethyl)alumane;methane;methoxyethane;propane is sourced from PubChem (CID 161133865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).