bis(2-methylpropyl)alumanylium;hydride;2-methylaniline

C15H28AlN — CID 174831782

IUPACbis(2-methylpropyl)alumanylium;hydride;2-methylaniline
SMILESCC(C)C[Al+]CC(C)C.Cc1ccccc1N.[H-]
InChIInChI=1S/C7H9N.2C4H9.Al.H/c1-6-4-2-3-5-7(6)8;2*1-4(2)3;;/h2-5H,8H2,1H3;2*4H,1H2,2-3H3;;/q;;;+1;-1
InChIKeyCAZSVSKTDGRODP-UHFFFAOYSA-N
MW249.38 g/mol
LogP4.53
Rot. Bonds4

About bis(2-methylpropyl)alumanylium;hydride;2-methylaniline

bis(2-methylpropyl)alumanylium;hydride;2-methylaniline (PubChem CID 174831782) has the molecular formula C15H28AlN and a molecular weight of 249.38 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;hydride;2-methylaniline.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;hydride;2-methylaniline
PubChem CID174831782
Molecular FormulaC15H28AlN
Molecular Weight249.38 g/mol
Exact Mass249.20
IUPAC Namebis(2-methylpropyl)alumanylium;hydride;2-methylaniline
SMILESCC(C)C[Al+]CC(C)C.Cc1ccccc1N.[H-]
InChIInChI=1S/C7H9N.2C4H9.Al.H/c1-6-4-2-3-5-7(6)8;2*1-4(2)3;;/h2-5H,8H2,1H3;2*4H,1H2,2-3H3;;/q;;;+1;-1
InChIKeyCAZSVSKTDGRODP-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-methylpropyl)alumanylium;hydride;2-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;hydride;2-methylaniline?
The IUPAC name of bis(2-methylpropyl)alumanylium;hydride;2-methylaniline (CID 174831782) is bis(2-methylpropyl)alumanylium;hydride;2-methylaniline.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;hydride;2-methylaniline?
The canonical SMILES for bis(2-methylpropyl)alumanylium;hydride;2-methylaniline is CC(C)C[Al+]CC(C)C.Cc1ccccc1N.[H-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;hydride;2-methylaniline?
The InChIKey is CAZSVSKTDGRODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C4H9.Al.H/c1-6-4-2-3-5-7(6)8;2*1-4(2)3;;/h2-5H,8H2,1H3;2*4H,1H2,2-3H3;;/q;;;+1;-1.
What are the key properties of bis(2-methylpropyl)alumanylium;hydride;2-methylaniline?
bis(2-methylpropyl)alumanylium;hydride;2-methylaniline has a molecular weight of 249.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;hydride;2-methylaniline is sourced from PubChem (CID 174831782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).