triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride

C13H30FN3 — CID 87698989

IUPACtriethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride
SMILESCC/N=C(\N(CC)CC)[N+](CC)(CC)CC.[F-]
InChIInChI=1S/C13H30N3.FH/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1/b14-13+;
InChIKeyWTZXFCQVHADTOX-IERUDJENSA-M
MW247.40 g/mol
LogP-0.42
Rot. Bonds6

About triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride

triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride (PubChem CID 87698989) has the molecular formula C13H30FN3 and a molecular weight of 247.40 g/mol. Its IUPAC name is triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride.

Molecular Properties

Compound Nametriethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride
PubChem CID87698989
Molecular FormulaC13H30FN3
Molecular Weight247.40 g/mol
Exact Mass247.24
IUPAC Nametriethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride
SMILESCC/N=C(\N(CC)CC)[N+](CC)(CC)CC.[F-]
InChIInChI=1S/C13H30N3.FH/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1/b14-13+;
InChIKeyWTZXFCQVHADTOX-IERUDJENSA-M
XLogP-0.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Hexaethylguanidinium bromide
CID 5744058
[Diethylamino(fluoro)methylidene]-diethylazanium
CID 11500706
Bis(dibutylamino)methylidene-dibutylazanium fluoride
CID 11384479
Bis[di(propan-2-yl)amino]methylidene
CID 16656341
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
Tetraethylguanidinium chloride
CID 19693196
N-butyl-N',N',N'',N''-tetramethylguanidine
CID 20446383
N-propyl-tetramethylguanidine
CID 54549543
Bis(diethylamino)methylidene-diethylazanium
CID 5744059
Bis(diethylamino)-N,N-diethylmethaniminium iodide
CID 13127976

Frequently Asked Questions

What is the IUPAC name of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride?
The IUPAC name of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride (CID 87698989) is triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride.
What is the SMILES notation for triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride?
The canonical SMILES for triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride is CC/N=C(\N(CC)CC)[N+](CC)(CC)CC.[F-].
What is the InChIKey of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride?
The InChIKey is WTZXFCQVHADTOX-IERUDJENSA-M. The full InChI is InChI=1S/C13H30N3.FH/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1/b14-13+;.
What are the key properties of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride?
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride has a molecular weight of 247.40 g/mol, XLogP of -0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(N,N,N'-triethylcarbamimidoyl)azanium fluoride is sourced from PubChem (CID 87698989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).