N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine

C24H26N2 — CID 126613562

IUPACN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine
SMILESCc1cccc(C)c1/N=C1\C=CC=CC1C/C=N/c1c(C)cccc1C
InChIInChI=1S/C24H26N2/c1-17-9-7-10-18(2)23(17)25-16-15-21-13-5-6-14-22(21)26-24-19(3)11-8-12-20(24)4/h5-14,16,21H,15H2,1-4H3/b25-16+,26-22+
InChIKeyUIWQXORREKSFOO-LKZVIGDNSA-N
MW342.49 g/mol
LogP6.53
Rot. Bonds4

About N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine

N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine (PubChem CID 126613562) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine
PubChem CID126613562
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC NameN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine
SMILESCc1cccc(C)c1/N=C1\C=CC=CC1C/C=N/c1c(C)cccc1C
InChIInChI=1S/C24H26N2/c1-17-9-7-10-18(2)23(17)25-16-15-21-13-5-6-14-22(21)26-24-19(3)11-8-12-20(24)4/h5-14,16,21H,15H2,1-4H3/b25-16+,26-22+
InChIKeyUIWQXORREKSFOO-LKZVIGDNSA-N
XLogP6.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine 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 N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine (CID 126613562) is N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine is Cc1cccc(C)c1/N=C1\C=CC=CC1C/C=N/c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is UIWQXORREKSFOO-LKZVIGDNSA-N. The full InChI is InChI=1S/C24H26N2/c1-17-9-7-10-18(2)23(17)25-16-15-21-13-5-6-14-22(21)26-24-19(3)11-8-12-20(24)4/h5-14,16,21H,15H2,1-4H3/b25-16+,26-22+.
What are the key properties of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine?
N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 342.49 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 126613562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).