ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate

C9H22F6NP — CID 11460434

IUPACethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC[N+](C)(C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22N.F6P/c1-7-10(6,8(2)3)9(4)5;1-7(2,3,4,5)6/h8-9H,7H2,1-6H3;/q+1;-1
InChIKeyAMEHIWKERDOSKW-UHFFFAOYSA-N
MW289.24 g/mol
LogP5.65
Rot. Bonds3

About ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate

ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate (PubChem CID 11460434) has the molecular formula C9H22F6NP and a molecular weight of 289.24 g/mol. Its IUPAC name is ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate.

Molecular Properties

Compound Nameethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate
PubChem CID11460434
Molecular FormulaC9H22F6NP
Molecular Weight289.24 g/mol
Exact Mass289.14
IUPAC Nameethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC[N+](C)(C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22N.F6P/c1-7-10(6,8(2)3)9(4)5;1-7(2,3,4,5)6/h8-9H,7H2,1-6H3;/q+1;-1
InChIKeyAMEHIWKERDOSKW-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.24
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
1-iodopropyl(trimethyl)azanium hexafluorophosphate
CID 137354126
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate
CID 139121174
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
CID 19814723
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
ethyl-dimethyl-phenylazanium hexafluorophosphate
CID 139243460
(4-ethylphenyl)methyl-methyl-di(propan-2-yl)azanium
CID 87935383
tetrabutylazanium;tetraethylazanium;dihexafluorophosphate
CID 22559466
triethyl(prop-2-enyl)azanium hexafluorophosphate
CID 175350954

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate?
The IUPAC name of ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate (CID 11460434) is ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate.
What is the SMILES notation for ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate?
The canonical SMILES for ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate is CC[N+](C)(C(C)C)C(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate?
The InChIKey is AMEHIWKERDOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.F6P/c1-7-10(6,8(2)3)9(4)5;1-7(2,3,4,5)6/h8-9H,7H2,1-6H3;/q+1;-1.
What are the key properties of ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate?
ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate has a molecular weight of 289.24 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate is sourced from PubChem (CID 11460434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).