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

C13H30F6N3P — CID 19693200

IUPACtriethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate
SMILESCC/N=C(\N(CC)CC)[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H30N3.F6P/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;1-7(2,3,4,5)6/h7-12H2,1-6H3;/q+1;-1/b14-13+;
InChIKeyMMQYKLJWFNVUNE-IERUDJENSA-N
MW373.37 g/mol
LogP5.96
Rot. Bonds6

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

triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate (PubChem CID 19693200) has the molecular formula C13H30F6N3P and a molecular weight of 373.37 g/mol. Its IUPAC name is triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate.

Molecular Properties

Compound Nametriethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate
PubChem CID19693200
Molecular FormulaC13H30F6N3P
Molecular Weight373.37 g/mol
Exact Mass373.21
IUPAC Nametriethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate
SMILESCC/N=C(\N(CC)CC)[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H30N3.F6P/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;1-7(2,3,4,5)6/h7-12H2,1-6H3;/q+1;-1/b14-13+;
InChIKeyMMQYKLJWFNVUNE-IERUDJENSA-N
XLogP5.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.96
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate?
The IUPAC name of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate (CID 19693200) is triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate.
What is the SMILES notation for triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate?
The canonical SMILES for triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate is CC/N=C(\N(CC)CC)[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate?
The InChIKey is MMQYKLJWFNVUNE-IERUDJENSA-N. The full InChI is InChI=1S/C13H30N3.F6P/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;1-7(2,3,4,5)6/h7-12H2,1-6H3;/q+1;-1/b14-13+;.
What are the key properties of triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate?
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium hexafluorophosphate has a molecular weight of 373.37 g/mol, XLogP of 5.96, 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 hexafluorophosphate is sourced from PubChem (CID 19693200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).