[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate

C14H30F6N3P — CID 11058115

IUPAC[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(/C=N/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H30N3.F6P/c1-11(2)16(12(3)4)9-15-10-17(13(5)6)14(7)8;1-7(2,3,4,5)6/h9-14H,1-8H3;/q+1;-1
InChIKeyZTZXNBBGLOFQOU-UHFFFAOYSA-N
MW385.38 g/mol
LogP6.37
Rot. Bonds6

About [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate

[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate (PubChem CID 11058115) has the molecular formula C14H30F6N3P and a molecular weight of 385.38 g/mol. Its IUPAC name is [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate.

Molecular Properties

Compound Name[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
PubChem CID11058115
Molecular FormulaC14H30F6N3P
Molecular Weight385.38 g/mol
Exact Mass385.21
IUPAC Name[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(/C=N/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H30N3.F6P/c1-11(2)16(12(3)4)9-15-10-17(13(5)6)14(7)8;1-7(2,3,4,5)6/h9-14H,1-8H3;/q+1;-1
InChIKeyZTZXNBBGLOFQOU-UHFFFAOYSA-N
XLogP6.37
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The IUPAC name of [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate (CID 11058115) is [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate.
What is the SMILES notation for [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The canonical SMILES for [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate is CC(C)N(/C=N/C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The InChIKey is ZTZXNBBGLOFQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3.F6P/c1-11(2)16(12(3)4)9-15-10-17(13(5)6)14(7)8;1-7(2,3,4,5)6/h9-14H,1-8H3;/q+1;-1.
What are the key properties of [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
[[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate has a molecular weight of 385.38 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[di(propan-2-yl)amino]methylideneamino]methylidene-di(propan-2-yl)azanium hexafluorophosphate is sourced from PubChem (CID 11058115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).