1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride

C₁₃H₂₁ClN₄O — CID 168664869

About 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride

1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride (PubChem CID 168664869) has the molecular formula C₁₃H₂₁ClN₄O and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
• PubChem CID: 168664869
• Molecular Formula: C₁₃H₂₁ClN₄O
• Molecular Weight: 284.79 g/mol
• Exact Mass: 284.14
• IUPAC Name: 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
• SMILES: CCN(C)N=CNC(=O)Nc1c(C)cccc1C.Cl
• InChI: InChI=1S/C13H20N4O.ClH/c1-5-17(4)15-9-14-13(18)16-12-10(2)7-6-8-11(12)3;/h6-9H,5H2,1-4H3,(H2,14,15,16,18);1H
• InChIKey: LEKVXWVZNVRZKN-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 56.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.79
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride?

The IUPAC name of 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride (CID 168664869) is 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride.

What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride?

The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride is CCN(C)N=CNC(=O)Nc1c(C)cccc1C.Cl.

What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride?

The InChIKey is LEKVXWVZNVRZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/c1-5-17(4)15-9-14-13(18)16-12-10(2)7-6-8-11(12)3;/h6-9H,5H2,1-4H3,(H2,14,15,16,18);1H.

What are the key properties of 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride?

1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride is sourced from PubChem (CID 168664869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168664869 — identifiers, structure, computed properties (public domain)

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