N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine

C26H36N2 — CID 630473

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3/b27-15+,28-16+
InChIKeyJWVIIGXMTONOFR-DPCVLPDWSA-N
MW376.59 g/mol
LogP8.28
Rot. Bonds7

About N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine (PubChem CID 630473) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine
PubChem CID630473
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3/b27-15+,28-16+
InChIKeyJWVIIGXMTONOFR-DPCVLPDWSA-N
XLogP8.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 58.28
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-di(propan-2-yl)phenyl]ethane-1,2-diimine?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine (CID 630473) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine is CC(C)c1cccc(C(C)C)c1/N=C/C=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine?
The InChIKey is JWVIIGXMTONOFR-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H36N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3/b27-15+,28-16+.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine has a molecular weight of 376.59 g/mol, XLogP of 8.28, 7 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-di(propan-2-yl)phenyl]ethane-1,2-diimine is sourced from PubChem (CID 630473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).