cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride

C11H23ClN2O2 — CID 118383556

IUPACcis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1CC[C@H](NN)CC1(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3;/h8-9,13H,4-7,12H2,1-3H3;1H/t8-,9+;/m0./s1
InChIKeyPCHXSNMASVWYEN-OULXEKPRSA-N
MW250.77 g/mol
LogP1.63
Rot. Bonds3

About cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride

cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 118383556) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
PubChem CID118383556
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Namecis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1CC[C@H](NN)CC1(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3;/h8-9,13H,4-7,12H2,1-3H3;1H/t8-,9+;/m0./s1
InChIKeyPCHXSNMASVWYEN-OULXEKPRSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride (CID 118383556) is cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride is CCOC(=O)[C@H]1CC[C@H](NN)CC1(C)C.Cl.
What is the InChIKey of cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is PCHXSNMASVWYEN-OULXEKPRSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-4-15-10(14)9-6-5-8(13-12)7-11(9,2)3;/h8-9,13H,4-7,12H2,1-3H3;1H/t8-,9+;/m0./s1.
What are the key properties of cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride?
cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 118383556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).