N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine

C20H24N2 — CID 3741651

IUPACN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine
SMILESCc1cc(C)c(/N=C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H24N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3/b21-7+,22-8+
InChIKeyYVKAJRYLHIECOK-KVJLFNRQSA-N
MW292.43 g/mol
LogP5.64
Rot. Bonds3

About N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine

N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine (PubChem CID 3741651) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine
PubChem CID3741651
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine
SMILESCc1cc(C)c(/N=C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H24N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3/b21-7+,22-8+
InChIKeyYVKAJRYLHIECOK-KVJLFNRQSA-N
XLogP5.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.64
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(2,4,6-trimethylphenyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine (CID 3741651) is N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine is Cc1cc(C)c(/N=C/C=N/c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine?
The InChIKey is YVKAJRYLHIECOK-KVJLFNRQSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3/b21-7+,22-8+.
What are the key properties of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine?
N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine has a molecular weight of 292.43 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 3741651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).