N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline

C32H34N4 — CID 102518992

IUPACN-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccccc1/C=N\CC/N=C/c1ccccc1Nc1c(C)cccc1C
InChIInChI=1S/C32H34N4/c1-23-11-9-12-24(2)31(23)35-29-17-7-5-15-27(29)21-33-19-20-34-22-28-16-6-8-18-30(28)36-32-25(3)13-10-14-26(32)4/h5-18,21-22,35-36H,19-20H2,1-4H3/b33-21-,34-22+
InChIKeyHJWOFJJFDPOTEF-NRYMNODQSA-N
MW474.65 g/mol
LogP7.95
Rot. Bonds9

About N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline

N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline (PubChem CID 102518992) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
PubChem CID102518992
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC NameN-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1Nc1ccccc1/C=N\CC/N=C/c1ccccc1Nc1c(C)cccc1C
InChIInChI=1S/C32H34N4/c1-23-11-9-12-24(2)31(23)35-29-17-7-5-15-27(29)21-33-19-20-34-22-28-16-6-8-18-30(28)36-32-25(3)13-10-14-26(32)4/h5-18,21-22,35-36H,19-20H2,1-4H3/b33-21-,34-22+
InChIKeyHJWOFJJFDPOTEF-NRYMNODQSA-N
XLogP7.95
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(1R,2R)-2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]cyclohexyl]iminomethyl]phenyl]-2,6-dimethylaniline
CID 102289845
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate
CID 11351058
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
CID 59456562
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
ethane;N-ethyl-1-(2-methylphenyl)methanimine
CID 177332542
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
CID 21342904
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
CID 102486072

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline?
The IUPAC name of N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline (CID 102518992) is N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline is Cc1cccc(C)c1Nc1ccccc1/C=N\CC/N=C/c1ccccc1Nc1c(C)cccc1C.
What is the InChIKey of N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline?
The InChIKey is HJWOFJJFDPOTEF-NRYMNODQSA-N. The full InChI is InChI=1S/C32H34N4/c1-23-11-9-12-24(2)31(23)35-29-17-7-5-15-27(29)21-33-19-20-34-22-28-16-6-8-18-30(28)36-32-25(3)13-10-14-26(32)4/h5-18,21-22,35-36H,19-20H2,1-4H3/b33-21-,34-22+.
What are the key properties of N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline?
N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline has a molecular weight of 474.65 g/mol, XLogP of 7.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline is sourced from PubChem (CID 102518992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).