N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C23H28N2 — CID 5215508

IUPACN-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1C(=C/C=N/c2ccccc2C(C)(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C23H28N2/c1-22(2,3)17-11-7-9-13-19(17)24-16-15-21-23(4,5)18-12-8-10-14-20(18)25(21)6/h7-16H,1-6H3/b21-15?,24-16+
InChIKeyDXOWEYKZBIVSDL-CDWFIRSCSA-N
MW332.49 g/mol
LogP6.00
Rot. Bonds2

About N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 5215508) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID5215508
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC NameN-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1C(=C/C=N/c2ccccc2C(C)(C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C23H28N2/c1-22(2,3)17-11-7-9-13-19(17)24-16-15-21-23(4,5)18-12-8-10-14-20(18)25(21)6/h7-16H,1-6H3/b21-15?,24-16+
InChIKeyDXOWEYKZBIVSDL-CDWFIRSCSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 5215508) is N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1C(=C/C=N/c2ccccc2C(C)(C)C)C(C)(C)c2ccccc21.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is DXOWEYKZBIVSDL-CDWFIRSCSA-N. The full InChI is InChI=1S/C23H28N2/c1-22(2,3)17-11-7-9-13-19(17)24-16-15-21-23(4,5)18-12-8-10-14-20(18)25(21)6/h7-16H,1-6H3/b21-15?,24-16+.
What are the key properties of N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 332.49 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 5215508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).