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

C12H19ClN4O — CID 168664992

IUPAC1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
SMILESCCNN=CNC(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H
InChIKeyUCKDRUHFSKGADE-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.40
Rot. Bonds4

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

1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride (PubChem CID 168664992) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
PubChem CID168664992
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
SMILESCCNN=CNC(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H
InChIKeyUCKDRUHFSKGADE-UHFFFAOYSA-N
XLogP2.40
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.40
H-Bond Donors ≤ 53
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-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168665014
1-(2-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea
CID 168665015
1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
CID 168664999
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-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
CID 168664869
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
1-(2,6-dimethylphenyl)-3-[3-(propylideneamino)propyl]urea
CID 54185087
1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
CID 138400960
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-(2,6-dimethylphenyl)-3-[(E)-(2-methylphenyl)methylideneamino]urea
CID 77108053

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride (CID 168664992) is 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride is CCNN=CNC(=O)Nc1c(C)cccc1C.Cl.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride?
The InChIKey is UCKDRUHFSKGADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride?
1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride is sourced from PubChem (CID 168664992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).