(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C23H28N2 — CID 2334878

IUPAC(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H28N2/c1-22(2,3)17-11-13-18(14-12-17)24-16-15-21-23(4,5)19-9-7-8-10-20(19)25(21)6/h7-16H,1-6H3/b21-15-,24-16+
InChIKeyNBINJEAMQGKKSP-KKLLDSGKSA-N
MW332.49 g/mol
LogP6.00
Rot. Bonds2

About (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 2334878) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID2334878
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C23H28N2/c1-22(2,3)17-11-13-18(14-12-17)24-16-15-21-23(4,5)19-9-7-8-10-20(19)25(21)6/h7-16H,1-6H3/b21-15-,24-16+
InChIKeyNBINJEAMQGKKSP-KKLLDSGKSA-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 (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 2334878) is (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1/C(=C\C=N\c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is NBINJEAMQGKKSP-KKLLDSGKSA-N. The full InChI is InChI=1S/C23H28N2/c1-22(2,3)17-11-13-18(14-12-17)24-16-15-21-23(4,5)19-9-7-8-10-20(19)25(21)6/h7-16H,1-6H3/b21-15-,24-16+.
What are the key properties of (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(2Z)-N-(4-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 (2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 2334878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).