(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine

C16H26AlN — CID 177405879

IUPAC(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine
SMILESCC(C)C[Al](CC(C)C)/N=C/Cc1ccccc1
InChIInChI=1S/C8H8N.2C4H9.Al/c9-7-6-8-4-2-1-3-5-8;2*1-4(2)3;/h1-5,7H,6H2;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyZGPQLVNQGYLKBU-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.60
Rot. Bonds7

About (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine

(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine (PubChem CID 177405879) has the molecular formula C16H26AlN and a molecular weight of 259.37 g/mol. Its IUPAC name is (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine
PubChem CID177405879
Molecular FormulaC16H26AlN
Molecular Weight259.37 g/mol
Exact Mass259.19
IUPAC Name(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine
SMILESCC(C)C[Al](CC(C)C)/N=C/Cc1ccccc1
InChIInChI=1S/C8H8N.2C4H9.Al/c9-7-6-8-4-2-1-3-5-8;2*1-4(2)3;/h1-5,7H,6H2;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyZGPQLVNQGYLKBU-UHFFFAOYSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine?
The IUPAC name of (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine (CID 177405879) is (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine.
What is the SMILES notation for (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine?
The canonical SMILES for (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine is CC(C)C[Al](CC(C)C)/N=C/Cc1ccccc1.
What is the InChIKey of (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine?
The InChIKey is ZGPQLVNQGYLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N.2C4H9.Al/c9-7-6-8-4-2-1-3-5-8;2*1-4(2)3;/h1-5,7H,6H2;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine?
(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine has a molecular weight of 259.37 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine is sourced from PubChem (CID 177405879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).