potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide

C14H26BrKNO3+ — CID 174844713

IUPACpotassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
SMILESBr.CC[N+](CC)(CC)Cc1ccccc1.O=C(O)O.[H-].[K+]
InChIInChI=1S/C13H22N.CH2O3.BrH.K.H/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3)4;;;/h7-11H,4-6,12H2,1-3H3;(H2,2,3,4);1H;;/q+1;;;+1;-1
InChIKeyAQKRXOFUAJZGCO-UHFFFAOYSA-N
MW375.37 g/mol
LogP0.98
Rot. Bonds5

About potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide

potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide (PubChem CID 174844713) has the molecular formula C14H26BrKNO3+ and a molecular weight of 375.37 g/mol. Its IUPAC name is potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide.

Molecular Properties

Compound Namepotassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
PubChem CID174844713
Molecular FormulaC14H26BrKNO3+
Molecular Weight375.37 g/mol
Exact Mass374.07
IUPAC Namepotassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
SMILESBr.CC[N+](CC)(CC)Cc1ccccc1.O=C(O)O.[H-].[K+]
InChIInChI=1S/C13H22N.CH2O3.BrH.K.H/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3)4;;;/h7-11H,4-6,12H2,1-3H3;(H2,2,3,4);1H;;/q+1;;;+1;-1
InChIKeyAQKRXOFUAJZGCO-UHFFFAOYSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
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CID 86596066
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
bis(benzyl(triethyl)azanium);phthalate
CID 21225163
bis(benzyl(triethyl)azanium);terephthalate
CID 21225187
azanium;benzyl(triethyl)azanium;hydrogen sulfate
CID 172746378
benzyl(triethyl)azanium;prop-2-enamide;bromide
CID 88664409
benzyl(triethyl)azanium;prop-2-enamide;chloride
CID 87304948
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
dibenzyl-ethyl-propylazanium
CID 130331727

Frequently Asked Questions

What is the IUPAC name of potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide?
The IUPAC name of potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide (CID 174844713) is potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide.
What is the SMILES notation for potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide?
The canonical SMILES for potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide is Br.CC[N+](CC)(CC)Cc1ccccc1.O=C(O)O.[H-].[K+].
What is the InChIKey of potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide?
The InChIKey is AQKRXOFUAJZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.CH2O3.BrH.K.H/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2-1(3)4;;;/h7-11H,4-6,12H2,1-3H3;(H2,2,3,4);1H;;/q+1;;;+1;-1.
What are the key properties of potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide?
potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide has a molecular weight of 375.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide is sourced from PubChem (CID 174844713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).