2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium

C33H75NP3+3 — CID 59798475

IUPAC2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC
InChIInChI=1S/C33H75NP3/c1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h10-33H2,1-9H3/q+3
InChIKeyUAYJEZDLYIYZAX-UHFFFAOYSA-N
MW578.89 g/mol
LogP11.03
Rot. Bonds27

About 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium

2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium (PubChem CID 59798475) has the molecular formula C33H75NP3+3 and a molecular weight of 578.89 g/mol. Its IUPAC name is 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium.

Molecular Properties

Compound Name2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
PubChem CID59798475
Molecular FormulaC33H75NP3+3
Molecular Weight578.89 g/mol
Exact Mass578.51
IUPAC Name2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC
InChIInChI=1S/C33H75NP3/c1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h10-33H2,1-9H3/q+3
InChIKeyUAYJEZDLYIYZAX-UHFFFAOYSA-N
XLogP11.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.89
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

boranuide;tetrapropylphosphanium
CID 14746814
tetrapropylphosphanium fluoride
CID 23053641
tetrapropylphosphanium bromide
CID 11011483
tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
CID 158534231
tripentyl(propyl)phosphanium bromide
CID 87779046
pentyl(tripropyl)phosphanium iodide
CID 87777868
tetraethylphosphanium;tetramethylphosphanium;tetrapropylphosphanium;tribromide
CID 173320390
heptyl-pentyl-dipropylphosphanium
CID 87507955
dibutyl-pentyl-propylphosphanium
CID 87507891
ethyl-[2-[ethyl(dipropyl)phosphaniumyl]ethyl]-dipropylphosphanium
CID 58445068
iodomethyl(tripropyl)phosphanium
CID 175228557
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The IUPAC name of 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium (CID 59798475) is 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium.
What is the SMILES notation for 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The canonical SMILES for 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium is CCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC.
What is the InChIKey of 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The InChIKey is UAYJEZDLYIYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H75NP3/c1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h10-33H2,1-9H3/q+3.
What are the key properties of 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium has a molecular weight of 578.89 g/mol, XLogP of 11.03, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium is sourced from PubChem (CID 59798475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).