N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide

C19H23N3 — CID 57026646

IUPACN-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide
SMILESC/C(=N\C=N\c1ccc(C)cc1C)Nc1ccc(C)cc1C
InChIInChI=1S/C19H23N3/c1-13-6-8-18(15(3)10-13)21-12-20-17(5)22-19-9-7-14(2)11-16(19)4/h6-12H,1-5H3,(H,20,21,22)
InChIKeyAHGULZUKSJUBOW-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.11
Rot. Bonds3

About N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide

N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide (PubChem CID 57026646) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide
PubChem CID57026646
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide
SMILESC/C(=N\C=N\c1ccc(C)cc1C)Nc1ccc(C)cc1C
InChIInChI=1S/C19H23N3/c1-13-6-8-18(15(3)10-13)21-12-20-17(5)22-19-9-7-14(2)11-16(19)4/h6-12H,1-5H3,(H,20,21,22)
InChIKeyAHGULZUKSJUBOW-UHFFFAOYSA-N
XLogP5.11
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide (CID 57026646) is N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide is C/C(=N\C=N\c1ccc(C)cc1C)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide?
The InChIKey is AHGULZUKSJUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-13-6-8-18(15(3)10-13)21-12-20-17(5)22-19-9-7-14(2)11-16(19)4/h6-12H,1-5H3,(H,20,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide?
N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide has a molecular weight of 293.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide is sourced from PubChem (CID 57026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).