4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid

C10H18N2O2 — CID 130991611

IUPAC4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid
SMILESCCN(C)N=C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c1-3-12(2)11-9-6-4-8(5-7-9)10(13)14/h8H,3-7H2,1-2H3,(H,13,14)/b11-9-
InChIKeyKTKMIIXQPFZACM-LUAWRHEFSA-N
MW198.27 g/mol
LogP1.57
Rot. Bonds3

About 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid

4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid (PubChem CID 130991611) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid
PubChem CID130991611
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid
SMILESCCN(C)N=C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c1-3-12(2)11-9-6-4-8(5-7-9)10(13)14/h8H,3-7H2,1-2H3,(H,13,14)/b11-9-
InChIKeyKTKMIIXQPFZACM-LUAWRHEFSA-N
XLogP1.57
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-hydroxyiminocyclopentane-1-carboxylic acid
CID 6091857
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
3-oxocyclopentane-1-carboxylic acid
CID 175785263
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid (CID 130991611) is 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid is CCN(C)N=C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid?
The InChIKey is KTKMIIXQPFZACM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-12(2)11-9-6-4-8(5-7-9)10(13)14/h8H,3-7H2,1-2H3,(H,13,14)/b11-9-.
What are the key properties of 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid?
4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)hydrazinylidene]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).