1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride

C14H23ClN4O — CID 138400960

IUPAC1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)N/C=N\N(C)C.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-5-11-8-7-9-12(6-2)13(11)17-14(19)15-10-16-18(3)4;/h7-10H,5-6H2,1-4H3,(H2,15,16,17,19);1H
InChIKeyZDYJJSHHDRAXEI-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride

1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride (PubChem CID 138400960) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
PubChem CID138400960
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)N/C=N\N(C)C.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-5-11-8-7-9-12(6-2)13(11)17-14(19)15-10-16-18(3)4;/h7-10H,5-6H2,1-4H3,(H2,15,16,17,19);1H
InChIKeyZDYJJSHHDRAXEI-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.86
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-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
CID 168664869
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911645
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168664992
3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701407
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
4-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066208
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea;hydrochloride
CID 3050632

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride (CID 138400960) is 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride is CCc1cccc(CC)c1NC(=O)N/C=N\N(C)C.Cl.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride?
The InChIKey is ZDYJJSHHDRAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-5-11-8-7-9-12(6-2)13(11)17-14(19)15-10-16-18(3)4;/h7-10H,5-6H2,1-4H3,(H2,15,16,17,19);1H.
What are the key properties of 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride?
1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride is sourced from PubChem (CID 138400960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).