cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate

C10H25NO2 — CID 171472457

IUPACcyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
SMILESCC[N+](C)(C)C1CCCCC1.O.[OH-]
InChIInChI=1S/C10H22N.2H2O/c1-4-11(2,3)10-8-6-5-7-9-10;;/h10H,4-9H2,1-3H3;2*1H2/q+1;;/p-1
InChIKeyRFBAOJOOQVFZDJ-UHFFFAOYSA-M
MW191.31 g/mol
LogP1.41
Rot. Bonds2

About cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate

cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate (PubChem CID 171472457) has the molecular formula C10H25NO2 and a molecular weight of 191.31 g/mol. Its IUPAC name is cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate.

Molecular Properties

Compound Namecyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
PubChem CID171472457
Molecular FormulaC10H25NO2
Molecular Weight191.31 g/mol
Exact Mass191.19
IUPAC Namecyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
SMILESCC[N+](C)(C)C1CCCCC1.O.[OH-]
InChIInChI=1S/C10H22N.2H2O/c1-4-11(2,3)10-8-6-5-7-9-10;;/h10H,4-9H2,1-3H3;2*1H2/q+1;;/p-1
InChIKeyRFBAOJOOQVFZDJ-UHFFFAOYSA-M
XLogP1.41
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-diethyl-methylazanium
CID 153152970
cyclohexyl(triethyl)azanium;hydroiodide
CID 126960224
cyclododecyl-dimethyl-nonylazanium
CID 175529320
N-heptadecyl-N-methylcyclohexanamine oxide
CID 122613241
cyclohexyl-dimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide
CID 171669807
cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclodecyl(trimethyl)azanium chloride
CID 134900881
CID 158406819
CID 158406819
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
cycloundecyl-dimethyl-nonylazanium;phosphoric acid
CID 175529024
dicyclohexyl(diethyl)azanium;methanesulfonate
CID 87092687
cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
CID 154694779

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate?
The IUPAC name of cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate (CID 171472457) is cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate.
What is the SMILES notation for cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate?
The canonical SMILES for cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate is CC[N+](C)(C)C1CCCCC1.O.[OH-].
What is the InChIKey of cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate?
The InChIKey is RFBAOJOOQVFZDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22N.2H2O/c1-4-11(2,3)10-8-6-5-7-9-10;;/h10H,4-9H2,1-3H3;2*1H2/q+1;;/p-1.
What are the key properties of cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate?
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate has a molecular weight of 191.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate is sourced from PubChem (CID 171472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).