N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C20H23N3 — CID 139558679

IUPACN'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccccc2C#N)cc1C
InChIInChI=1S/C20H23N3/c1-5-23(4)14-22-20-11-15(2)19(10-16(20)3)12-17-8-6-7-9-18(17)13-21/h6-11,14H,5,12H2,1-4H3/b22-14+
InChIKeyWGGDWKNNRVJHQZ-HYARGMPZSA-N
MW305.43 g/mol
LogP4.38
Rot. Bonds5

About N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 139558679) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID139558679
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2ccccc2C#N)cc1C
InChIInChI=1S/C20H23N3/c1-5-23(4)14-22-20-11-15(2)19(10-16(20)3)12-17-8-6-7-9-18(17)13-21/h6-11,14H,5,12H2,1-4H3/b22-14+
InChIKeyWGGDWKNNRVJHQZ-HYARGMPZSA-N
XLogP4.38
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(2-cyanophenyl)sulfanyl-2-ethyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391878
N'-[4-[3-[(2-cyanophenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 167445268
N'-[5-bromo-4-(2-cyanophenyl)sulfinyl-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391860
N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
CID 121318687
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
N-ethyl-N'-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide;dihydrochloride
CID 90185197
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197869
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N'-[4-[2-[2-(difluoromethoxy)phenyl]acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372361
N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647984

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 139558679) is N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2ccccc2C#N)cc1C.
What is the InChIKey of N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is WGGDWKNNRVJHQZ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23N3/c1-5-23(4)14-22-20-11-15(2)19(10-16(20)3)12-17-8-6-7-9-18(17)13-21/h6-11,14H,5,12H2,1-4H3/b22-14+.
What are the key properties of N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 305.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 139558679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).