carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium

C25H30N2O2P+ — CID 134884453

IUPACcarboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium
SMILESCC[N+](CC)(CCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H29N2O2P/c1-3-27(4-2,25(28)29)21-20-26-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,3-4,20-21H2,1-2H3/p+1
InChIKeyRHMRPKNQAVNIGW-UHFFFAOYSA-O
MW421.50 g/mol
LogP4.70
Rot. Bonds8

About carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium

carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium (PubChem CID 134884453) has the molecular formula C25H30N2O2P+ and a molecular weight of 421.50 g/mol. Its IUPAC name is carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium.

Molecular Properties

Compound Namecarboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium
PubChem CID134884453
Molecular FormulaC25H30N2O2P+
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namecarboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium
SMILESCC[N+](CC)(CCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H29N2O2P/c1-3-27(4-2,25(28)29)21-20-26-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,3-4,20-21H2,1-2H3/p+1
InChIKeyRHMRPKNQAVNIGW-UHFFFAOYSA-O
XLogP4.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylcarbamoyloxy(triphenyl)germane
CID 16716277
diphenylphosphanyl N,N-diethylcarbamate
CID 12793809
N-methyl-N-(2-triphenylphosphaniumylethyl)carbamate
CID 87458454
N-ethyl-N-triphenylphosphaniumylcarbamate
CID 87554010
Carbonic acid;2-(dimethylamino)ethyl-triphenylphosphanium
CID 88393159
Bis(2-diphenylphosphanylethyl)carbamic acid
CID 88908056
N-propan-2-yl-N-triphenylphosphaniumylcarbamate
CID 142795407
Piperidine-1-carboxylic acid;triphenylphosphane
CID 159814521
Diethyl-formyl-(triphenylphosphaniumylmethyl)azanium
CID 18466375
2-[Carboxy(methyl)amino]ethyl-triphenylphosphanium
CID 87458455
[Carboxy(ethyl)amino]-triphenylphosphanium
CID 87554011
N,N-dimethyl-2-[(triphenyl-lambda5-phosphanylidene)amino]acetamide
CID 101848660

Frequently Asked Questions

What is the IUPAC name of carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium?
The IUPAC name of carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium (CID 134884453) is carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium.
What is the SMILES notation for carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium?
The canonical SMILES for carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium is CC[N+](CC)(CCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium?
The InChIKey is RHMRPKNQAVNIGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H29N2O2P/c1-3-27(4-2,25(28)29)21-20-26-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,3-4,20-21H2,1-2H3/p+1.
What are the key properties of carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium?
carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium has a molecular weight of 421.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-diethyl-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]azanium is sourced from PubChem (CID 134884453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).