2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine

C17H20N4 — CID 118673274

IUPAC2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(/C=N/N/C(N)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C17H20N4/c1-12-7-9-15(10-8-12)11-19-21-17(18)20-16-13(2)5-4-6-14(16)3/h4-11H,1-3H3,(H3,18,20,21)/b19-11+
InChIKeyRUDQKJZNBMIYKI-YBFXNURJSA-N
MW280.38 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine

2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine (PubChem CID 118673274) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine
PubChem CID118673274
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(/C=N/N/C(N)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C17H20N4/c1-12-7-9-15(10-8-12)11-19-21-17(18)20-16-13(2)5-4-6-14(16)3/h4-11H,1-3H3,(H3,18,20,21)/b19-11+
InChIKeyRUDQKJZNBMIYKI-YBFXNURJSA-N
XLogP3.18
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
CID 175773289
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
CID 45356627
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
2-amino-1-[(4-methylsulfanylphenyl)methylideneamino]guanidine
CID 74041348
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine (CID 118673274) is 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine is Cc1ccc(/C=N/N/C(N)=N/c2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The InChIKey is RUDQKJZNBMIYKI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-7-9-15(10-8-12)11-19-21-17(18)20-16-13(2)5-4-6-14(16)3/h4-11H,1-3H3,(H3,18,20,21)/b19-11+.
What are the key properties of 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine?
2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine has a molecular weight of 280.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 118673274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).