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Molecule
ID:1621
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₆H₃₆N+
Molecular Mass
242.46374
Exact Mass
242.28477516
Charge
1
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
InChIKey
DZLFLBLQUQXARW-UHFFFAOYSA-N
Canonic Smiles
CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
1.32
LogD (pH = 5.5)
1.32
Log P
1.32
Rotatable Bonds
12
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
33.60
Molar Refractivity
91.40
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
Registration numbers
Properties
Related Proteins
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PDB Bank
Molecular Spectra
Molecule Details
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DrugBank
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
DrugBank
DB01851
PubChem
16028
ChEBI
CHEBI:45825
Names and Identifiers
IUPAC name
tetrabutylazanium
IUPAC Traditional name
tetrabutylammonium ion
Synonyms
Tetrabutylammonium Ion
tetrabutylammonium
TETRABUTYLAMMONIUM ION
Registration numbers
CAS Number
2052-49-5
PubChem SID
160965078
46507097
57304840
PubChem CID
16028
Protein Data Bank
2jk5
1j95
1jvm
7m2h
2hjf
2bob
2dwe
2dwd
2hvk
7rp0
2hvj
3ifx
UniProt Database
O08966
O77504
Q863T6
A7MBE0
Q7NDN8
Q63089
O15245
BKMS React Database
101596
BRENDA Database
3.1.1.8
CHEMBL
CHEMBL1236196
PDBeChem Database
TBA
BRENDA Ligand Database
101596
ACToR Database
10549-76-5
DrugBank ID
DB01851
CHEBI ID
CHEBI:45825
SureChEMBL Database
SCHEMBL22384
NMRShiftDB Database
30095865
CompTox Database
DTXSID3045011
BindingDB Database
50416487
Related Proteins
PDB Bank
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2JK5
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1J95
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1JVM
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7M2H
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2HJF
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2BOB
2DWE
2DWD
2HVK
7RP0
2HVJ
3IFX
Molecule Details
DrugBank
DB01851
Drug information: experimental
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
PubChem SID
•
PubChem CID
•
Protein Data Bank
•
UniProt Database
•
BKMS React Database
•
BRENDA Database
•
CHEMBL
•
PDBeChem Database
•
BRENDA Ligand Database
•
ACToR Database
•
DrugBank ID
•
CHEBI ID
•
SureChEMBL Database
•
NMRShiftDB Database
•
CompTox Database
•
BindingDB Database