aluminum;N,N-diethylethanamine;trichloride

C6H15AlCl3N — CID 86649339

IUPACaluminum;N,N-diethylethanamine;trichloride
SMILESCCN(CC)CC.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C6H15N.Al.3ClH/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyVNICJHGMMYPVLC-UHFFFAOYSA-K
MW234.53 g/mol
LogP-8.02
Rot. Bonds3

About aluminum;N,N-diethylethanamine;trichloride

aluminum;N,N-diethylethanamine;trichloride (PubChem CID 86649339) has the molecular formula C6H15AlCl3N and a molecular weight of 234.53 g/mol. Its IUPAC name is aluminum;N,N-diethylethanamine;trichloride.

Molecular Properties

Compound Namealuminum;N,N-diethylethanamine;trichloride
PubChem CID86649339
Molecular FormulaC6H15AlCl3N
Molecular Weight234.53 g/mol
Exact Mass233.01
IUPAC Namealuminum;N,N-diethylethanamine;trichloride
SMILESCCN(CC)CC.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C6H15N.Al.3ClH/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyVNICJHGMMYPVLC-UHFFFAOYSA-K
XLogP-8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.53
LogP ≤ 5-8.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze aluminum;N,N-diethylethanamine;trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triethylamine
CID 8471
Triethylamine hydrochloride
CID 11130
Triethylmethylammonium chloride
CID 82326
Diethylmethylamine
CID 12022
Ethanaminium, N,N,N-trimethyl-, chloride (1:1)
CID 33992
Ethanaminium, N-ethyl-N,N-dimethyl-, chloride (1:1)
CID 22025857
Triethyl-d15-amine
CID 16212933
aluminum;N,N-dimethylethanamine
CID 11115999
N-ethyl-N-methylethanamine;hydrochloride
CID 12507485
N,N-Dimethylethylamine hydrochloride
CID 12556476
N-ethyl-N-ethylethanamine
CID 20778771
N-ethyl-N-trichlorogermylethanamine
CID 22477079

Frequently Asked Questions

What is the IUPAC name of aluminum;N,N-diethylethanamine;trichloride?
The IUPAC name of aluminum;N,N-diethylethanamine;trichloride (CID 86649339) is aluminum;N,N-diethylethanamine;trichloride.
What is the SMILES notation for aluminum;N,N-diethylethanamine;trichloride?
The canonical SMILES for aluminum;N,N-diethylethanamine;trichloride is CCN(CC)CC.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;N,N-diethylethanamine;trichloride?
The InChIKey is VNICJHGMMYPVLC-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H15N.Al.3ClH/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;N,N-diethylethanamine;trichloride?
aluminum;N,N-diethylethanamine;trichloride has a molecular weight of 234.53 g/mol, XLogP of -8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;N,N-diethylethanamine;trichloride is sourced from PubChem (CID 86649339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).