dibutyl-ethyl-methylazanium chloride

C11H26ClN — CID 22486999

IUPACdibutyl-ethyl-methylazanium chloride
SMILESCCCC[N+](C)(CC)CCCC.[Cl-]
InChIInChI=1S/C11H26N.ClH/c1-5-8-10-12(4,7-3)11-9-6-2;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyIDAAMGCAYKKQHY-UHFFFAOYSA-M
MW207.79 g/mol
LogP0.06
Rot. Bonds7

About dibutyl-ethyl-methylazanium chloride

dibutyl-ethyl-methylazanium chloride (PubChem CID 22486999) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is dibutyl-ethyl-methylazanium chloride.

Molecular Properties

Compound Namedibutyl-ethyl-methylazanium chloride
PubChem CID22486999
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC Namedibutyl-ethyl-methylazanium chloride
SMILESCCCC[N+](C)(CC)CCCC.[Cl-]
InChIInChI=1S/C11H26N.ClH/c1-5-8-10-12(4,7-3)11-9-6-2;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyIDAAMGCAYKKQHY-UHFFFAOYSA-M
XLogP0.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 50.06
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

butyl-ethyl-methyl-pentylazanium
CID 87508333
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
CID 174806932
ethyl-methyl-di(undecyl)azanium
CID 156729684
aluminum;tributyl(methyl)azanium;tetrachloride
CID 173050889
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
docosyl-diethyl-methylazanium chloride
CID 87975854
dodecyl-diethyl-methylazanium
CID 14494908
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
dibutyl-methyl-pentylazanium
CID 21452154
ethyl(trioctyl)azanium;methyl(trioctyl)azanium;dichloride
CID 140521429
butyl-dodecyl-methyl-octylazanium
CID 71382086
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-methylazanium chloride?
The IUPAC name of dibutyl-ethyl-methylazanium chloride (CID 22486999) is dibutyl-ethyl-methylazanium chloride.
What is the SMILES notation for dibutyl-ethyl-methylazanium chloride?
The canonical SMILES for dibutyl-ethyl-methylazanium chloride is CCCC[N+](C)(CC)CCCC.[Cl-].
What is the InChIKey of dibutyl-ethyl-methylazanium chloride?
The InChIKey is IDAAMGCAYKKQHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26N.ClH/c1-5-8-10-12(4,7-3)11-9-6-2;/h5-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dibutyl-ethyl-methylazanium chloride?
dibutyl-ethyl-methylazanium chloride has a molecular weight of 207.79 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-methylazanium chloride is sourced from PubChem (CID 22486999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).