2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium

C26H32N4O2P+ — CID 90424170

IUPAC2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium
SMILESCN(CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)N=C(N)N
InChIInChI=1S/C26H31N4O2P/c1-30(21-25(31)29-26(27)28)17-18-32-19-20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16H,17-21H2,1H3,(H3-,27,28,29,31)/p+1
InChIKeyRIINDQYYWIQHKL-UHFFFAOYSA-O
MW463.54 g/mol
LogP1.73
Rot. Bonds11

About 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium

2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium (PubChem CID 90424170) has the molecular formula C26H32N4O2P+ and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium
PubChem CID90424170
Molecular FormulaC26H32N4O2P+
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium
SMILESCN(CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)N=C(N)N
InChIInChI=1S/C26H31N4O2P/c1-30(21-25(31)29-26(27)28)17-18-32-19-20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16H,17-21H2,1H3,(H3-,27,28,29,31)/p+1
InChIKeyRIINDQYYWIQHKL-UHFFFAOYSA-O
XLogP1.73
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
CID 118688441
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
CID 90424402
bis(2-[benzyl(methyl)amino]ethyl-triphenylphosphanium) diacetate
CID 173362409
2-[2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]ethoxy]ethyl-triphenylphosphanium iodide
CID 131745688
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
2-aminooxyethyl(triphenyl)phosphanium
CID 88919899
3-[2-[[2-[carbamimidoyl(methyl)amino]acetyl]amino]ethoxy]propyl-triphenylphosphanium dichloride
CID 86274003
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
2-[methyl(2-phenylmethoxyethyl)amino]propanamide
CID 130767373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium?
The IUPAC name of 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium (CID 90424170) is 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium is CN(CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)N=C(N)N.
What is the InChIKey of 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium?
The InChIKey is RIINDQYYWIQHKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H31N4O2P/c1-30(21-25(31)29-26(27)28)17-18-32-19-20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16H,17-21H2,1H3,(H3-,27,28,29,31)/p+1.
What are the key properties of 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium?
2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium has a molecular weight of 463.54 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(diaminomethylideneamino)-2-oxoethyl]-methylamino]ethoxy]ethyl-triphenylphosphanium is sourced from PubChem (CID 90424170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).