[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide

C16H21INP — CID 139081557

IUPAC[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide
SMILESCC(C)[NH+]=P(C)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C16H20NP.HI/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H
InChIKeyXCNDMWAXQNZCPF-UHFFFAOYSA-N
MW385.23 g/mol
LogP-1.04
Rot. Bonds3

About [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide

[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide (PubChem CID 139081557) has the molecular formula C16H21INP and a molecular weight of 385.23 g/mol. Its IUPAC name is [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide.

Molecular Properties

Compound Name[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide
PubChem CID139081557
Molecular FormulaC16H21INP
Molecular Weight385.23 g/mol
Exact Mass385.05
IUPAC Name[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide
SMILESCC(C)[NH+]=P(C)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C16H20NP.HI/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H
InChIKeyXCNDMWAXQNZCPF-UHFFFAOYSA-N
XLogP-1.04
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide?
The IUPAC name of [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide (CID 139081557) is [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide.
What is the SMILES notation for [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide?
The canonical SMILES for [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide is CC(C)[NH+]=P(C)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide?
The InChIKey is XCNDMWAXQNZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NP.HI/c1-14(2)17-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14H,1-3H3;1H.
What are the key properties of [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide?
[methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide has a molecular weight of 385.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(diphenyl)-λ5-phosphanylidene]-propan-2-ylazanium iodide is sourced from PubChem (CID 139081557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).