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

C9H21F6N2P — CID 10859603

IUPAC[di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate
SMILESCC(C)N(C=[N+](C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H21N2.F6P/c1-8(2)11(9(3)4)7-10(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1
InChIKeyOAMNREMUNIOIKK-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.79
Rot. Bonds3

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

[di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate (PubChem CID 10859603) has the molecular formula C9H21F6N2P and a molecular weight of 302.24 g/mol. Its IUPAC name is [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate
PubChem CID10859603
Molecular FormulaC9H21F6N2P
Molecular Weight302.24 g/mol
Exact Mass302.13
IUPAC Name[di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate
SMILESCC(C)N(C=[N+](C)C)C(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H21N2.F6P/c1-8(2)11(9(3)4)7-10(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1
InChIKeyOAMNREMUNIOIKK-UHFFFAOYSA-N
XLogP4.79
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.79
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-dimethylazanium 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-dimethylazanium hexafluorophosphate?
The IUPAC name of [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate (CID 10859603) is [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate?
The canonical SMILES for [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate is CC(C)N(C=[N+](C)C)C(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate?
The InChIKey is OAMNREMUNIOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.F6P/c1-8(2)11(9(3)4)7-10(5)6;1-7(2,3,4,5)6/h7-9H,1-6H3;/q+1;-1.
What are the key properties of [di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate?
[di(propan-2-yl)amino]methylidene-dimethylazanium hexafluorophosphate has a molecular weight of 302.24 g/mol, XLogP of 4.79, 3 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-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 10859603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).