diethyl-methoxy-propylazanium tetrafluoroborate

C8H20BF4NO — CID 174843693

IUPACdiethyl-methoxy-propylazanium tetrafluoroborate
SMILESCCC[N+](CC)(CC)OC.F[B-](F)(F)F
InChIInChI=1S/C8H20NO.BF4/c1-5-8-9(6-2,7-3)10-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
InChIKeyADZVORQZJNKLQJ-UHFFFAOYSA-N
MW233.06 g/mol
LogP3.11
Rot. Bonds5

About diethyl-methoxy-propylazanium tetrafluoroborate

diethyl-methoxy-propylazanium tetrafluoroborate (PubChem CID 174843693) has the molecular formula C8H20BF4NO and a molecular weight of 233.06 g/mol. Its IUPAC name is diethyl-methoxy-propylazanium tetrafluoroborate.

Molecular Properties

Compound Namediethyl-methoxy-propylazanium tetrafluoroborate
PubChem CID174843693
Molecular FormulaC8H20BF4NO
Molecular Weight233.06 g/mol
Exact Mass233.16
IUPAC Namediethyl-methoxy-propylazanium tetrafluoroborate
SMILESCCC[N+](CC)(CC)OC.F[B-](F)(F)F
InChIInChI=1S/C8H20NO.BF4/c1-5-8-9(6-2,7-3)10-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
InChIKeyADZVORQZJNKLQJ-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-methoxy-propylazanium hexafluorophosphate
CID 174873592
diethyl-(2-hydroxyethyl)-methoxyazanium
CID 16735613
dibutyl-methoxy-pentylazanium
CID 174501319
ethyl-(methoxymethyl)-methyl-propylazanium
CID 87334000
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
CID 174806932
ethyl-methoxy-dioctylazanium;propanoate
CID 19091174
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
ethane;tetraethylazanium;octatetrafluoroborate
CID 173127151
triethyl-[2-(2-methoxyethoxy)ethyl]azanium tetrafluoroborate
CID 87737614
methane;tetrabutylazanium;tritetrafluoroborate
CID 173499905
tributyl(dodecyl)azanium tetrafluoroborate
CID 141411504
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095

Frequently Asked Questions

What is the IUPAC name of diethyl-methoxy-propylazanium tetrafluoroborate?
The IUPAC name of diethyl-methoxy-propylazanium tetrafluoroborate (CID 174843693) is diethyl-methoxy-propylazanium tetrafluoroborate.
What is the SMILES notation for diethyl-methoxy-propylazanium tetrafluoroborate?
The canonical SMILES for diethyl-methoxy-propylazanium tetrafluoroborate is CCC[N+](CC)(CC)OC.F[B-](F)(F)F.
What is the InChIKey of diethyl-methoxy-propylazanium tetrafluoroborate?
The InChIKey is ADZVORQZJNKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.BF4/c1-5-8-9(6-2,7-3)10-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of diethyl-methoxy-propylazanium tetrafluoroborate?
diethyl-methoxy-propylazanium tetrafluoroborate has a molecular weight of 233.06 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methoxy-propylazanium tetrafluoroborate is sourced from PubChem (CID 174843693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).