4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine

C32H76Al3N3 — CID 87913170

IUPAC4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine
SMILESCCCC[Al](CCCC)CCCCN(C)C.CC[Al](CC)CCCCN(C)C.CN(C)CCCC[Al](C)C
InChIInChI=1S/3C6H14N.2C4H9.2C2H5.2CH3.3Al/c3*1-4-5-6-7(2)3;2*1-3-4-2;2*1-2;;;;;/h3*1,4-6H2,2-3H3;2*1,3-4H2,2H3;2*1H2,2H3;2*1H3;;;
InChIKeyPLILVRBIROKBAX-UHFFFAOYSA-N
MW583.93 g/mol
LogP9.37
Rot. Bonds23

About 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine

4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine (PubChem CID 87913170) has the molecular formula C32H76Al3N3 and a molecular weight of 583.93 g/mol. Its IUPAC name is 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine
PubChem CID87913170
Molecular FormulaC32H76Al3N3
Molecular Weight583.93 g/mol
Exact Mass583.55
IUPAC Name4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine
SMILESCCCC[Al](CCCC)CCCCN(C)C.CC[Al](CC)CCCCN(C)C.CN(C)CCCC[Al](C)C
InChIInChI=1S/3C6H14N.2C4H9.2C2H5.2CH3.3Al/c3*1-4-5-6-7(2)3;2*1-3-4-2;2*1-2;;;;;/h3*1,4-6H2,2-3H3;2*1,3-4H2,2H3;2*1H2,2H3;2*1H3;;;
InChIKeyPLILVRBIROKBAX-UHFFFAOYSA-N
XLogP9.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.93
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethylalumane;trioctylalumane
CID 158774524
dimethyl(nonadecyl)alumane
CID 142743873
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001

Frequently Asked Questions

What is the IUPAC name of 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine (CID 87913170) is 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine is CCCC[Al](CCCC)CCCCN(C)C.CC[Al](CC)CCCCN(C)C.CN(C)CCCC[Al](C)C.
What is the InChIKey of 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine?
The InChIKey is PLILVRBIROKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14N.2C4H9.2C2H5.2CH3.3Al/c3*1-4-5-6-7(2)3;2*1-3-4-2;2*1-2;;;;;/h3*1,4-6H2,2-3H3;2*1,3-4H2,2H3;2*1H2,2H3;2*1H3;;;.
What are the key properties of 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine?
4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine has a molecular weight of 583.93 g/mol, XLogP of 9.37, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibutylalumanyl-N,N-dimethylbutan-1-amine;4-diethylalumanyl-N,N-dimethylbutan-1-amine;4-dimethylalumanyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 87913170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).