[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate

C15H31F6N2P — CID 11165017

IUPAC[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H31N2.F6P/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;1-7(2,3,4,5)6/h9-15H,1-8H3;/q+1;-1
InChIKeyUSQUZXRKXKJFBU-UHFFFAOYSA-N
MW384.39 g/mol
LogP6.90
Rot. Bonds6

About [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate

[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate (PubChem CID 11165017) has the molecular formula C15H31F6N2P and a molecular weight of 384.39 g/mol. Its IUPAC name is [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate.

Molecular Properties

Compound Name[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate
PubChem CID11165017
Molecular FormulaC15H31F6N2P
Molecular Weight384.39 g/mol
Exact Mass384.21
IUPAC Name[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C15H31N2.F6P/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;1-7(2,3,4,5)6/h9-15H,1-8H3;/q+1;-1
InChIKeyUSQUZXRKXKJFBU-UHFFFAOYSA-N
XLogP6.90
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.39
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate?
The IUPAC name of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate (CID 11165017) is [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate.
What is the SMILES notation for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate?
The canonical SMILES for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate is CC(C)N(/C=C/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate?
The InChIKey is USQUZXRKXKJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2.F6P/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8;1-7(2,3,4,5)6/h9-15H,1-8H3;/q+1;-1.
What are the key properties of [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate?
[(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate has a molecular weight of 384.39 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate is sourced from PubChem (CID 11165017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).