N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide

C24H25N3 — CID 132553199

IUPACN-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C=N/c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C24H25N3/c1-17-10-8-11-18(2)22(17)26-16-27(23-19(3)12-9-13-20(23)4)24(25)21-14-6-5-7-15-21/h5-16,25H,1-4H3/b25-24+,26-16+
InChIKeyJGOXJCYXTSMJSL-WCUYERGVSA-N
MW355.49 g/mol
LogP6.11
Rot. Bonds4

About N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide

N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide (PubChem CID 132553199) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide
PubChem CID132553199
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(/C=N/c1c(C)cccc1C)c1c(C)cccc1C
InChIInChI=1S/C24H25N3/c1-17-10-8-11-18(2)22(17)26-16-27(23-19(3)12-9-13-20(23)4)24(25)21-14-6-5-7-15-21/h5-16,25H,1-4H3/b25-24+,26-16+
InChIKeyJGOXJCYXTSMJSL-WCUYERGVSA-N
XLogP6.11
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.11
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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide (CID 132553199) is N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide is [H]/N=C(\c1ccccc1)N(/C=N/c1c(C)cccc1C)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide?
The InChIKey is JGOXJCYXTSMJSL-WCUYERGVSA-N. The full InChI is InChI=1S/C24H25N3/c1-17-10-8-11-18(2)22(17)26-16-27(23-19(3)12-9-13-20(23)4)24(25)21-14-6-5-7-15-21/h5-16,25H,1-4H3/b25-24+,26-16+.
What are the key properties of N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide?
N-(2,6-dimethylphenyl)-N-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide has a molecular weight of 355.49 g/mol, XLogP of 6.11, 4 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-[(2,6-dimethylphenyl)iminomethyl]benzenecarboximidamide is sourced from PubChem (CID 132553199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).