N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine

C23H30N2 — CID 150901095

IUPACN'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine
SMILESCc1ccccc1/N=C/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C23H30N2/c1-17-11-8-9-14-20(17)24-15-16-25-21-18(22(2,3)4)12-10-13-19(21)23(5,6)7/h8-16H,1-7H3/b24-15+,25-16+
InChIKeyLAACZHMLJPXTDG-FEZYOMQXSA-N
MW334.51 g/mol
LogP6.69
Rot. Bonds3

About N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine

N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine (PubChem CID 150901095) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine
PubChem CID150901095
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine
SMILESCc1ccccc1/N=C/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C23H30N2/c1-17-11-8-9-14-20(17)24-15-16-25-21-18(22(2,3)4)12-10-13-19(21)23(5,6)7/h8-16H,1-7H3/b24-15+,25-16+
InChIKeyLAACZHMLJPXTDG-FEZYOMQXSA-N
XLogP6.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.69
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'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine?
The IUPAC name of N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine (CID 150901095) is N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine?
The canonical SMILES for N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine is Cc1ccccc1/N=C/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine?
The InChIKey is LAACZHMLJPXTDG-FEZYOMQXSA-N. The full InChI is InChI=1S/C23H30N2/c1-17-11-8-9-14-20(17)24-15-16-25-21-18(22(2,3)4)12-10-13-19(21)23(5,6)7/h8-16H,1-7H3/b24-15+,25-16+.
What are the key properties of N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine?
N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine has a molecular weight of 334.51 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-ditert-butylphenyl)-N-(2-methylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 150901095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).