1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide

C16H24N2O — CID 116844541

IUPAC1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1ccc(C2(C(=O)NN)CCCCC2)c(C)c1C
InChIInChI=1S/C16H24N2O/c1-11-7-8-14(13(3)12(11)2)16(15(19)18-17)9-5-4-6-10-16/h7-8H,4-6,9-10,17H2,1-3H3,(H,18,19)
InChIKeyTWUJRESEMBUBNI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds2

About 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide

1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide (PubChem CID 116844541) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
PubChem CID116844541
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1ccc(C2(C(=O)NN)CCCCC2)c(C)c1C
InChIInChI=1S/C16H24N2O/c1-11-7-8-14(13(3)12(11)2)16(15(19)18-17)9-5-4-6-10-16/h7-8H,4-6,9-10,17H2,1-3H3,(H,18,19)
InChIKeyTWUJRESEMBUBNI-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(4-methoxy-2,3-dimethylphenyl)cyclopropane-1-carbohydrazide
CID 116844174
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844351
1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844514
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide
CID 116844644
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
CID 116876228
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844322
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide (CID 116844541) is 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide is Cc1ccc(C2(C(=O)NN)CCCCC2)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide?
The InChIKey is TWUJRESEMBUBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-8-14(13(3)12(11)2)16(15(19)18-17)9-5-4-6-10-16/h7-8H,4-6,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide?
1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide has a molecular weight of 260.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).