2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium

C24H55NO5P2+2 — CID 87357460

IUPAC2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium
SMILESCCCO[P+](CC)(CCN(CCOCC)CC[P+](CC)(OCCC)OCCC)OCCC
InChIInChI=1S/C24H55NO5P2/c1-8-18-27-31(13-6,28-19-9-2)23-16-25(15-22-26-12-5)17-24-32(14-7,29-20-10-3)30-21-11-4/h8-24H2,1-7H3/q+2
InChIKeyVNBPURUPNHPOIH-UHFFFAOYSA-N
MW499.65 g/mol
LogP6.77
Rot. Bonds24

About 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium

2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium (PubChem CID 87357460) has the molecular formula C24H55NO5P2+2 and a molecular weight of 499.65 g/mol. Its IUPAC name is 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium.

Molecular Properties

Compound Name2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium
PubChem CID87357460
Molecular FormulaC24H55NO5P2+2
Molecular Weight499.65 g/mol
Exact Mass499.35
IUPAC Name2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium
SMILESCCCO[P+](CC)(CCN(CCOCC)CC[P+](CC)(OCCC)OCCC)OCCC
InChIInChI=1S/C24H55NO5P2/c1-8-18-27-31(13-6,28-19-9-2)23-16-25(15-22-26-12-5)17-24-32(14-7,29-20-10-3)30-21-11-4/h8-24H2,1-7H3/q+2
InChIKeyVNBPURUPNHPOIH-UHFFFAOYSA-N
XLogP6.77
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.65
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
ethoxy-diethyl-propoxyphosphanium
CID 138521190
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 82952304
2-[2-(2-ethoxyethoxy)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethanol
CID 90352000
1-N-(2-ethoxyethyl)-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 63696660
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
CID 82938035
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
CID 105344268

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium?
The IUPAC name of 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium (CID 87357460) is 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium.
What is the SMILES notation for 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium?
The canonical SMILES for 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium is CCCO[P+](CC)(CCN(CCOCC)CC[P+](CC)(OCCC)OCCC)OCCC.
What is the InChIKey of 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium?
The InChIKey is VNBPURUPNHPOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H55NO5P2/c1-8-18-27-31(13-6,28-19-9-2)23-16-25(15-22-26-12-5)17-24-32(14-7,29-20-10-3)30-21-11-4/h8-24H2,1-7H3/q+2.
What are the key properties of 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium?
2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium has a molecular weight of 499.65 g/mol, XLogP of 6.77, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl-[2-[ethyl(dipropoxy)phosphaniumyl]ethyl]amino]ethyl-ethyl-dipropoxyphosphanium is sourced from PubChem (CID 87357460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).