N,N'-bis(2,4,6-trimethylphenyl)methanimidamide

C19H24N2 — CID 3355627

IUPACN,N'-bis(2,4,6-trimethylphenyl)methanimidamide
SMILESCc1cc(C)c(/N=C/Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H24N2/c1-12-7-14(3)18(15(4)8-12)20-11-21-19-16(5)9-13(2)10-17(19)6/h7-11H,1-6H3,(H,20,21)
InChIKeyVSPPKNZKMVKGNX-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.31
Rot. Bonds3

About N,N'-bis(2,4,6-trimethylphenyl)methanimidamide

N,N'-bis(2,4,6-trimethylphenyl)methanimidamide (PubChem CID 3355627) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N,N'-bis(2,4,6-trimethylphenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(2,4,6-trimethylphenyl)methanimidamide
PubChem CID3355627
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN,N'-bis(2,4,6-trimethylphenyl)methanimidamide
SMILESCc1cc(C)c(/N=C/Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H24N2/c1-12-7-14(3)18(15(4)8-12)20-11-21-19-16(5)9-13(2)10-17(19)6/h7-11H,1-6H3,(H,20,21)
InChIKeyVSPPKNZKMVKGNX-UHFFFAOYSA-N
XLogP5.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.31
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(2,4,6-trimethylphenyl)methanimidamide?
The IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)methanimidamide (CID 3355627) is N,N'-bis(2,4,6-trimethylphenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(2,4,6-trimethylphenyl)methanimidamide?
The canonical SMILES for N,N'-bis(2,4,6-trimethylphenyl)methanimidamide is Cc1cc(C)c(/N=C/Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4,6-trimethylphenyl)methanimidamide?
The InChIKey is VSPPKNZKMVKGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-12-7-14(3)18(15(4)8-12)20-11-21-19-16(5)9-13(2)10-17(19)6/h7-11H,1-6H3,(H,20,21).
What are the key properties of N,N'-bis(2,4,6-trimethylphenyl)methanimidamide?
N,N'-bis(2,4,6-trimethylphenyl)methanimidamide has a molecular weight of 280.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4,6-trimethylphenyl)methanimidamide is sourced from PubChem (CID 3355627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).