N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide

C24H25N3 — CID 102486072

IUPACN'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
SMILESCc1cccc(C)c1/N=C/Nc1ccccc1/C=N/c1c(C)cccc1C
InChIInChI=1S/C24H25N3/c1-17-9-7-10-18(2)23(17)25-15-21-13-5-6-14-22(21)26-16-27-24-19(3)11-8-12-20(24)4/h5-16H,1-4H3,(H,26,27)/b25-15+
InChIKeyZOONNXAZPRIFRP-MFKUBSTISA-N
MW355.49 g/mol
LogP6.44
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide

N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide (PubChem CID 102486072) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
PubChem CID102486072
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
SMILESCc1cccc(C)c1/N=C/Nc1ccccc1/C=N/c1c(C)cccc1C
InChIInChI=1S/C24H25N3/c1-17-9-7-10-18(2)23(17)25-15-21-13-5-6-14-22(21)26-16-27-24-19(3)11-8-12-20(24)4/h5-16H,1-4H3,(H,26,27)/b25-15+
InChIKeyZOONNXAZPRIFRP-MFKUBSTISA-N
XLogP6.44
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
CID 21342904
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide
CID 102455870
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
CID 102518992
dichloroiron;N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701898

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide (CID 102486072) is N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide is Cc1cccc(C)c1/N=C/Nc1ccccc1/C=N/c1c(C)cccc1C.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide?
The InChIKey is ZOONNXAZPRIFRP-MFKUBSTISA-N. The full InChI is InChI=1S/C24H25N3/c1-17-9-7-10-18(2)23(17)25-15-21-13-5-6-14-22(21)26-16-27-24-19(3)11-8-12-20(24)4/h5-16H,1-4H3,(H,26,27)/b25-15+.
What are the key properties of N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide?
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide has a molecular weight of 355.49 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide is sourced from PubChem (CID 102486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).