cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium

C19H30NO2+ — CID 71522404

IUPACcyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium
SMILESCc1cccc(C)c1C(=O)OCC[N+](C)(C)C1CCCCC1
InChIInChI=1S/C19H30NO2/c1-15-9-8-10-16(2)18(15)19(21)22-14-13-20(3,4)17-11-6-5-7-12-17/h8-10,17H,5-7,11-14H2,1-4H3/q+1
InChIKeyAFNKFZTVZPUZFW-UHFFFAOYSA-N
MW304.45 g/mol
LogP3.87
Rot. Bonds5

About cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium

cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium (PubChem CID 71522404) has the molecular formula C19H30NO2+ and a molecular weight of 304.45 g/mol. Its IUPAC name is cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium
PubChem CID71522404
Molecular FormulaC19H30NO2+
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Namecyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium
SMILESCc1cccc(C)c1C(=O)OCC[N+](C)(C)C1CCCCC1
InChIInChI=1S/C19H30NO2/c1-15-9-8-10-16(2)18(15)19(21)22-14-13-20(3,4)17-11-6-5-7-12-17/h8-10,17H,5-7,11-14H2,1-4H3/q+1
InChIKeyAFNKFZTVZPUZFW-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl 2,6-dimethylbenzenecarboperoxoate
CID 173265603
ethyl 2,6-dimethylbenzoate
CID 520807
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
cyclohexyl-dimethyl-[2-(2,4,6-trimethylbenzoyl)oxypropyl]azanium
CID 71523277
(4-hydroxy-3,3-dimethylbutyl) 2,6-dimethylbenzoate
CID 135339120
cyclohexyl-dimethyl-[(2S)-2-(2,4,6-trimethylbenzoyl)oxypropyl]azanium iodide
CID 71523494
[3-(2,6-dimethylbenzoyl)oxy-2-bicyclo[2.2.2]octanyl] 2,6-dimethylbenzoate
CID 170939218
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
cyclopentyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-dimethylazanium
CID 8875644
2,2,3,3-tetramethylbutyl 2,6-dimethylbenzoate
CID 142470082
propyl 2-fluoro-6-methylbenzoate
CID 135122544

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium?
The IUPAC name of cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium (CID 71522404) is cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium.
What is the SMILES notation for cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium?
The canonical SMILES for cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium is Cc1cccc(C)c1C(=O)OCC[N+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium?
The InChIKey is AFNKFZTVZPUZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30NO2/c1-15-9-8-10-16(2)18(15)19(21)22-14-13-20(3,4)17-11-6-5-7-12-17/h8-10,17H,5-7,11-14H2,1-4H3/q+1.
What are the key properties of cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium?
cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium has a molecular weight of 304.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(2,6-dimethylbenzoyl)oxyethyl]-dimethylazanium is sourced from PubChem (CID 71522404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).