cyclodecyl(trimethyl)azanium chloride

C13H28ClN — CID 134900881

IUPACcyclodecyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C1CCCCCCCCC1.[Cl-]
InChIInChI=1S/C13H28N.ClH/c1-14(2,3)13-11-9-7-5-4-6-8-10-12-13;/h13H,4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyGAGCRXAMHIHINM-UHFFFAOYSA-M
MW233.83 g/mol
LogP0.59
Rot. Bonds1

About cyclodecyl(trimethyl)azanium chloride

cyclodecyl(trimethyl)azanium chloride (PubChem CID 134900881) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is cyclodecyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namecyclodecyl(trimethyl)azanium chloride
PubChem CID134900881
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Namecyclodecyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C1CCCCCCCCC1.[Cl-]
InChIInChI=1S/C13H28N.ClH/c1-14(2,3)13-11-9-7-5-4-6-8-10-12-13;/h13H,4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyGAGCRXAMHIHINM-UHFFFAOYSA-M
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium nitrate
CID 15953491
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
tetra(cyclodecyl)azanium bromide
CID 139704805
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
cyclohexyl-(difluoromethyl)-dimethylazanium iodide
CID 24750838
cyclohexyl-hydroxy-dimethylazanium perchlorate
CID 16726157
cyclopentyl-diethyl-methylazanium
CID 153152970
(3-aminocyclohexyl)-trimethylazanium;hydrochloride
CID 174647176

Frequently Asked Questions

What is the IUPAC name of cyclodecyl(trimethyl)azanium chloride?
The IUPAC name of cyclodecyl(trimethyl)azanium chloride (CID 134900881) is cyclodecyl(trimethyl)azanium chloride.
What is the SMILES notation for cyclodecyl(trimethyl)azanium chloride?
The canonical SMILES for cyclodecyl(trimethyl)azanium chloride is C[N+](C)(C)C1CCCCCCCCC1.[Cl-].
What is the InChIKey of cyclodecyl(trimethyl)azanium chloride?
The InChIKey is GAGCRXAMHIHINM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H28N.ClH/c1-14(2,3)13-11-9-7-5-4-6-8-10-12-13;/h13H,4-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyclodecyl(trimethyl)azanium chloride?
cyclodecyl(trimethyl)azanium chloride has a molecular weight of 233.83 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl(trimethyl)azanium chloride is sourced from PubChem (CID 134900881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).