4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate

C18H25N2O2- — CID 4308284

IUPAC4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate
SMILESCCC(C)(C)C1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-18(2,3)14-7-11-16(12-8-14)20-19-15-9-5-13(6-10-15)17(21)22/h5-6,9-11,14,19-20H,4,7-8,12H2,1-3H3,(H,21,22)/p-1
InChIKeyMLEOYBLEXOCKRY-UHFFFAOYSA-M
MW301.41 g/mol
LogP3.09
Rot. Bonds6

About 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate

4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate (PubChem CID 4308284) has the molecular formula C18H25N2O2- and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate
PubChem CID4308284
Molecular FormulaC18H25N2O2-
Molecular Weight301.41 g/mol
Exact Mass301.19
IUPAC Name4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate
SMILESCCC(C)(C)C1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-4-18(2,3)14-7-11-16(12-8-14)20-19-15-9-5-13(6-10-15)17(21)22/h5-6,9-11,14,19-20H,4,7-8,12H2,1-3H3,(H,21,22)/p-1
InChIKeyMLEOYBLEXOCKRY-UHFFFAOYSA-M
XLogP3.09
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)hydrazinyl]benzoate
CID 2343979
4-[2-(1-ethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]benzoate
CID 2339609
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
4-(2-propylsulfonylhydrazinyl)benzoate
CID 2440278
2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
CID 2247660
4-[(4-ethylcyclohexanecarbonyl)amino]benzoate
CID 6991461
4-(pentylamino)benzoate
CID 53422656
2,2-dimethylbutane tribenzoate
CID 22607007
4-[[4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoyl]amino]benzoate
CID 7226930
3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 4556862
methyl (6S)-2-[[4-[[(6S)-3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 40732923
4-methyl-1-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]piperidine
CID 82022966

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate?
The IUPAC name of 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate (CID 4308284) is 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate.
What is the SMILES notation for 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate?
The canonical SMILES for 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate is CCC(C)(C)C1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1.
What is the InChIKey of 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate?
The InChIKey is MLEOYBLEXOCKRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O2/c1-4-18(2,3)14-7-11-16(12-8-14)20-19-15-9-5-13(6-10-15)17(21)22/h5-6,9-11,14,19-20H,4,7-8,12H2,1-3H3,(H,21,22)/p-1.
What are the key properties of 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate?
4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate has a molecular weight of 301.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]hydrazinyl]benzoate is sourced from PubChem (CID 4308284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).