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

C13H29F6N2P — CID 11057443

IUPAC[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H29N2.F6P/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;1-7(2,3,4,5)6/h9-13H,1-8H3;/q+1;-1
InChIKeyYDHHPBBKFIMIPA-UHFFFAOYSA-N
MW358.35 g/mol
LogP6.35
Rot. Bonds5

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

[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate (PubChem CID 11057443) has the molecular formula C13H29F6N2P and a molecular weight of 358.35 g/mol. Its IUPAC name is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate.

Molecular Properties

Compound Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
PubChem CID11057443
Molecular FormulaC13H29F6N2P
Molecular Weight358.35 g/mol
Exact Mass358.20
IUPAC Name[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate
SMILESCC(C)N(C=[N+](C(C)C)C(C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H29N2.F6P/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;1-7(2,3,4,5)6/h9-13H,1-8H3;/q+1;-1
InChIKeyYDHHPBBKFIMIPA-UHFFFAOYSA-N
XLogP6.35
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.35
LogP ≤ 56.35
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'}

Analyze [di(propan-2-yl)amino]methylidene-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 [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The IUPAC name of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate (CID 11057443) is [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate.
What is the SMILES notation for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The canonical SMILES for [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate is CC(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]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
The InChIKey is YDHHPBBKFIMIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2.F6P/c1-10(2)14(11(3)4)9-15(12(5)6)13(7)8;1-7(2,3,4,5)6/h9-13H,1-8H3;/q+1;-1.
What are the key properties of [di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate?
[di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium hexafluorophosphate has a molecular weight of 358.35 g/mol, XLogP of 6.35, 5 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]methylidene-di(propan-2-yl)azanium hexafluorophosphate is sourced from PubChem (CID 11057443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).