1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide

C16H24N2O — CID 116844514

IUPAC1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1cc(C)c(C2(C(=O)NN)CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-9-12(2)14(13(3)10-11)16(15(19)18-17)7-5-4-6-8-16/h9-10H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyXJBFRIVQKKURIS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide

1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide (PubChem CID 116844514) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
PubChem CID116844514
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide
SMILESCc1cc(C)c(C2(C(=O)NN)CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-9-12(2)14(13(3)10-11)16(15(19)18-17)7-5-4-6-8-16/h9-10H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyXJBFRIVQKKURIS-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'}

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Related Compounds

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844541
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
CID 82086541
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844351
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
CID 82289384
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide (CID 116844514) is 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide is Cc1cc(C)c(C2(C(=O)NN)CCCCC2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide?
The InChIKey is XJBFRIVQKKURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-9-12(2)14(13(3)10-11)16(15(19)18-17)7-5-4-6-8-16/h9-10H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide?
1-(2,4,6-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-(2,4,6-trimethylphenyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).