ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate

C11H22N2O2 — CID 118383562

IUPACethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NN)CC1(C)C
InChIInChI=1S/C11H22N2O2/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3/h8-9,13H,4-7,12H2,1-3H3
InChIKeyRCZGGUPQRQPLEK-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds3

About ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate

ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate (PubChem CID 118383562) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
PubChem CID118383562
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NN)CC1(C)C
InChIInChI=1S/C11H22N2O2/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3/h8-9,13H,4-7,12H2,1-3H3
InChIKeyRCZGGUPQRQPLEK-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
CID 118383556
1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone
CID 118392167
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
ethyl 4-[(2,4,4-trimethylcyclopentyl)amino]cyclohexane-1-carboxylate
CID 106662334

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate (CID 118383562) is ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate is CCOC(=O)C1CCC(NN)CC1(C)C.
What is the InChIKey of ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate?
The InChIKey is RCZGGUPQRQPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3/h8-9,13H,4-7,12H2,1-3H3.
What are the key properties of ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate?
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 118383562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).