General Information of the Compound
Compound ID
CP0383591
Compound Name
tetrabutylazanium
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Synonyms
1-Butanaminium, N,N,N-tributyl-
10549-76-5
311-28-4 (iodide)
429-41-4 (fluoride)
993-22-6 (azide)
Bu4N+
CBU2X6BBJR
CHEBI:45825
CHEMBL1236196
N,N,N-tributylbutan-1-aminium
SCHEMBL22384
TETRABUTHYLAMMONIUM
TETRABUTYLAMMONIUM ION
Tetrabutylammonium
Tetrabutylammonium Ion
UNII-CBU2X6BBJR
tetra (n-butyl) ammonium
tetra butyl-ammonium
tetra(n-butyl)ammonium
tetra-butyl ammonium
tetra-butylammonium
tetra-n-butyl ammonium
tetra-n-butylammonium
tetrabutyammonium
tetrabutyl ammonium
tetrabutyl-ammonium
tetrabutylamine
tetrabutylazanium
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Structure
Formula
C16H36N+
Molecular Weight
242.471
Canonical SMILES
CCCC[N+](CCCC)(CCCC)CCCC
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InChI
InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
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InChIKey
DZLFLBLQUQXARW-UHFFFAOYSA-N
CAS
122544-96-1
70623-38-0
63314-37-4
Physicochemical Property
logP
5.0036
Rotatable Bonds
12
Heavy Atom Count
17
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16028
SID: 15121968
ChEMBL ID
CHEMBL1236196
DrugBank ID
DB01851
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 7900 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 5700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Tetrabutylammonium Ion )
Drug Name Tetrabutylammonium Ion