1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide

C15H22N2O — CID 116844496

IUPAC1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1ccc(C2(C(=O)NN)CCCCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-6-7-13(10-12(11)2)15(14(18)17-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyCFEROLHZEBWSLN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.50
Rot. Bonds2

About 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide (PubChem CID 116844496) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
PubChem CID116844496
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1ccc(C2(C(=O)NN)CCCCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-6-7-13(10-12(11)2)15(14(18)17-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyCFEROLHZEBWSLN-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.50
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'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844541
1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844514
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844351
1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
CID 116844450
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide (CID 116844496) is 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide is Cc1ccc(C2(C(=O)NN)CCCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide?
The InChIKey is CFEROLHZEBWSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-7-13(10-12(11)2)15(14(18)17-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide?
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide has a molecular weight of 246.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).