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

C13H21ClN4O — CID 168664869

IUPAC1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
SMILESCCN(C)N=CNC(=O)Nc1c(C)cccc1C.Cl
InChIInChI=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
InChIKeyLEKVXWVZNVRZKN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.74
Rot. Bonds4

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 Name1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
PubChem CID168664869
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
SMILESCCN(C)N=CNC(=O)Nc1c(C)cccc1C.Cl
InChIInChI=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
InChIKeyLEKVXWVZNVRZKN-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168664992
1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
CID 138400960
1-(2,6-dimethylphenyl)-3-[(E)-(hexylhydrazinylidene)methyl]urea;hydrochloride
CID 135599694
1-[(E)-(2-chloroethylhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea
CID 135599697
1-(2-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168665014
1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
CID 168664999
1-(2-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea
CID 168665015
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
1-(2,6-dimethylphenyl)-3-[3-(propylideneamino)propyl]urea
CID 54185087
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856

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).