N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine

C18H20N2 — CID 583301

IUPACN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine
SMILESCc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C18H20N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h5-12H,1-4H3/b19-11+,20-12+
InChIKeyZJXKJXNVHCQBTO-AYKLPDECSA-N
MW264.37 g/mol
LogP5.03
Rot. Bonds3

About N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine

N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine (PubChem CID 583301) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine
PubChem CID583301
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine
SMILESCc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C
InChIInChI=1S/C18H20N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h5-12H,1-4H3/b19-11+,20-12+
InChIKeyZJXKJXNVHCQBTO-AYKLPDECSA-N
XLogP5.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.03
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,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine (CID 583301) is N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine is Cc1cccc(C)c1/N=C/C=N/c1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine?
The InChIKey is ZJXKJXNVHCQBTO-AYKLPDECSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-7-5-8-14(2)17(13)19-11-12-20-18-15(3)9-6-10-16(18)4/h5-12H,1-4H3/b19-11+,20-12+.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine?
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine has a molecular weight of 264.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 583301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).