tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium

C24H56N4O6P+ — CID 18769733

IUPACtris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium
SMILESCCCCN(CC)[P+](N(CCOC)CCOC)(N(CCOC)CCOC)N(CCOC)CCOC
InChIInChI=1S/C24H56N4O6P/c1-9-11-12-25(10-2)35(26(13-19-29-3)14-20-30-4,27(15-21-31-5)16-22-32-6)28(17-23-33-7)18-24-34-8/h9-24H2,1-8H3/q+1
InChIKeyAGDYHUYUBGVQBK-UHFFFAOYSA-N
MW527.71 g/mol
LogP2.57
Rot. Bonds26

About tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium

tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium (PubChem CID 18769733) has the molecular formula C24H56N4O6P+ and a molecular weight of 527.71 g/mol. Its IUPAC name is tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium.

Molecular Properties

Compound Nametris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium
PubChem CID18769733
Molecular FormulaC24H56N4O6P+
Molecular Weight527.71 g/mol
Exact Mass527.39
IUPAC Nametris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium
SMILESCCCCN(CC)[P+](N(CCOC)CCOC)(N(CCOC)CCOC)N(CCOC)CCOC
InChIInChI=1S/C24H56N4O6P/c1-9-11-12-25(10-2)35(26(13-19-29-3)14-20-30-4,27(15-21-31-5)16-22-32-6)28(17-23-33-7)18-24-34-8/h9-24H2,1-8H3/q+1
InChIKeyAGDYHUYUBGVQBK-UHFFFAOYSA-N
XLogP2.57
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.71
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1-(2-methoxyethyl)hydrazine
CID 90394089
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
N-ethenyl-N-(2-methoxyethyl)butan-1-amine
CID 143533953
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592

Frequently Asked Questions

What is the IUPAC name of tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium?
The IUPAC name of tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium (CID 18769733) is tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium.
What is the SMILES notation for tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium?
The canonical SMILES for tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium is CCCCN(CC)[P+](N(CCOC)CCOC)(N(CCOC)CCOC)N(CCOC)CCOC.
What is the InChIKey of tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium?
The InChIKey is AGDYHUYUBGVQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56N4O6P/c1-9-11-12-25(10-2)35(26(13-19-29-3)14-20-30-4,27(15-21-31-5)16-22-32-6)28(17-23-33-7)18-24-34-8/h9-24H2,1-8H3/q+1.
What are the key properties of tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium?
tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium has a molecular weight of 527.71 g/mol, XLogP of 2.57, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris[bis(2-methoxyethyl)amino]-[butyl(ethyl)amino]phosphanium is sourced from PubChem (CID 18769733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).