diethyl-formyl-(triphenylphosphaniumylmethyl)azanium

C24H28NOP+2 — CID 18466375

IUPACdiethyl-formyl-(triphenylphosphaniumylmethyl)azanium
SMILESCC[N+](C=O)(CC)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NOP/c1-3-25(4-2,20-26)21-27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,3-4,21H2,1-2H3/q+2
InChIKeyCODREPAEVGUUEX-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.95
Rot. Bonds8

About diethyl-formyl-(triphenylphosphaniumylmethyl)azanium

diethyl-formyl-(triphenylphosphaniumylmethyl)azanium (PubChem CID 18466375) has the molecular formula C24H28NOP+2 and a molecular weight of 377.47 g/mol. Its IUPAC name is diethyl-formyl-(triphenylphosphaniumylmethyl)azanium.

Molecular Properties

Compound Namediethyl-formyl-(triphenylphosphaniumylmethyl)azanium
PubChem CID18466375
Molecular FormulaC24H28NOP+2
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC Namediethyl-formyl-(triphenylphosphaniumylmethyl)azanium
SMILESCC[N+](C=O)(CC)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NOP/c1-3-25(4-2,20-26)21-27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,3-4,21H2,1-2H3/q+2
InChIKeyCODREPAEVGUUEX-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652
N,N-dimethyl-1-triphenylplumbylformamide
CID 301710
Pyrrolidin-1-yl(triphenylstannyl)methanone
CID 14028202
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
N-[bromo(triphenyl)-lambda5-phosphanyl]-N-ethylethanamine
CID 12550553
2-(Bromotriphenylphosphoranyl)-N,N-dimethylethanamine
CID 12950984
N,N-Dimethyl-3-(triphenyl-lambda~5~-phosphanylidene)propan-1-amine
CID 13509312

Frequently Asked Questions

What is the IUPAC name of diethyl-formyl-(triphenylphosphaniumylmethyl)azanium?
The IUPAC name of diethyl-formyl-(triphenylphosphaniumylmethyl)azanium (CID 18466375) is diethyl-formyl-(triphenylphosphaniumylmethyl)azanium.
What is the SMILES notation for diethyl-formyl-(triphenylphosphaniumylmethyl)azanium?
The canonical SMILES for diethyl-formyl-(triphenylphosphaniumylmethyl)azanium is CC[N+](C=O)(CC)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl-formyl-(triphenylphosphaniumylmethyl)azanium?
The InChIKey is CODREPAEVGUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-3-25(4-2,20-26)21-27(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,3-4,21H2,1-2H3/q+2.
What are the key properties of diethyl-formyl-(triphenylphosphaniumylmethyl)azanium?
diethyl-formyl-(triphenylphosphaniumylmethyl)azanium has a molecular weight of 377.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-formyl-(triphenylphosphaniumylmethyl)azanium is sourced from PubChem (CID 18466375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).