N,N'-bis(2,4-dimethylphenyl)methanimidamide

C17H20N2 — CID 578703

IUPACN,N'-bis(2,4-dimethylphenyl)methanimidamide
SMILESCc1ccc(/N=C/Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H20N2/c1-12-5-7-16(14(3)9-12)18-11-19-17-8-6-13(2)10-15(17)4/h5-11H,1-4H3,(H,18,19)
InChIKeyBWNKORZLHTWKHL-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.69
Rot. Bonds3

About N,N'-bis(2,4-dimethylphenyl)methanimidamide

N,N'-bis(2,4-dimethylphenyl)methanimidamide (PubChem CID 578703) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-bis(2,4-dimethylphenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dimethylphenyl)methanimidamide
PubChem CID578703
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN,N'-bis(2,4-dimethylphenyl)methanimidamide
SMILESCc1ccc(/N=C/Nc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H20N2/c1-12-5-7-16(14(3)9-12)18-11-19-17-8-6-13(2)10-15(17)4/h5-11H,1-4H3,(H,18,19)
InChIKeyBWNKORZLHTWKHL-UHFFFAOYSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.69
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,N'-bis(2,4-dimethylphenyl)methanimidamide?
The IUPAC name of N,N'-bis(2,4-dimethylphenyl)methanimidamide (CID 578703) is N,N'-bis(2,4-dimethylphenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(2,4-dimethylphenyl)methanimidamide?
The canonical SMILES for N,N'-bis(2,4-dimethylphenyl)methanimidamide is Cc1ccc(/N=C/Nc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4-dimethylphenyl)methanimidamide?
The InChIKey is BWNKORZLHTWKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-5-7-16(14(3)9-12)18-11-19-17-8-6-13(2)10-15(17)4/h5-11H,1-4H3,(H,18,19).
What are the key properties of N,N'-bis(2,4-dimethylphenyl)methanimidamide?
N,N'-bis(2,4-dimethylphenyl)methanimidamide has a molecular weight of 252.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dimethylphenyl)methanimidamide is sourced from PubChem (CID 578703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).