3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol

C61H124N9O10P3 — CID 165163781

IUPAC3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCCCO)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C
InChIInChI=1S/C61H124N9O10P3/c1-10-13-16-19-22-25-28-31-34-37-43-68-49-46-65(7)58(68)62-81(72,75-53-40-52-71)76-54-41-55-77-82(73,63-59-66(8)47-50-69(59)44-38-35-32-29-26-23-20-17-14-11-2)78-56-42-57-79-83(74,80-61(4,5)6)64-60-67(9)48-51-70(60)45-39-36-33-30-27-24-21-18-15-12-3/h71H,10-57H2,1-9H3
InChIKeyAQJSCAASIRRHTD-UHFFFAOYSA-N
MW1236.64 g/mol
LogP15.94
Rot. Bonds53

About 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol

3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol (PubChem CID 165163781) has the molecular formula C61H124N9O10P3 and a molecular weight of 1236.64 g/mol. Its IUPAC name is 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol
PubChem CID165163781
Molecular FormulaC61H124N9O10P3
Molecular Weight1236.64 g/mol
Exact Mass1235.87
IUPAC Name3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol
SMILESCCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCCCO)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C
InChIInChI=1S/C61H124N9O10P3/c1-10-13-16-19-22-25-28-31-34-37-43-68-49-46-65(7)58(68)62-81(72,75-53-40-52-71)76-54-41-55-77-82(73,63-59-66(8)47-50-69(59)44-38-35-32-29-26-23-20-17-14-11-2)78-56-42-57-79-83(74,80-61(4,5)6)64-60-67(9)48-51-70(60)45-39-36-33-30-27-24-21-18-15-12-3/h71H,10-57H2,1-9H3
InChIKeyAQJSCAASIRRHTD-UHFFFAOYSA-N
XLogP15.94
TPSA183.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds53
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001236.64
LogP ≤ 515.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol with MolForge

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Related Compounds

N-tert-butyl-1-hexadecyl-3-methylimidazolidin-2-imine
CID 168819904
tert-butyl 3-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-[[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[2-(hydroxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxyphosphoryl]oxypropyl hydrogen phosphate
CID 165163699
[(2S)-4-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(2S)-4-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[[(2S)-4-[[(1,3-dimethylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methyl 6-hydroxyhexyl hydrogen phosphate
CID 168820093
1-[tert-butyl(methanidyl)phosphoryl]oxydodecane;1-[tert-butyl(methanidyl)phosphoryl]oxyhexadecane;1-[tert-butyl(methanidyl)phosphoryl]oxyoctadecane;1-[tert-butyl(methanidyl)phosphoryl]oxytetradecane;dodecan-1-ol;hexadecan-1-ol;methoxymethane;nonadecane;tetradecan-1-ol
CID 167566969
tert-butyl 4-decyl-3-oxopiperazine-1-carboxylate
CID 70137747
dodecyl dihydrogen phosphate;1-methylpiperidine
CID 174903900
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
2-hydroxyethyl ditridecyl phosphate
CID 86141691

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol?
The IUPAC name of 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol (CID 165163781) is 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol.
What is the SMILES notation for 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol?
The canonical SMILES for 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol is CCCCCCCCCCCCN1CCN(C)C1=NP(=O)(OCCCO)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OCCCOP(=O)(N=C1N(C)CCN1CCCCCCCCCCCC)OC(C)(C)C.
What is the InChIKey of 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol?
The InChIKey is AQJSCAASIRRHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H124N9O10P3/c1-10-13-16-19-22-25-28-31-34-37-43-68-49-46-65(7)58(68)62-81(72,75-53-40-52-71)76-54-41-55-77-82(73,63-59-66(8)47-50-69(59)44-38-35-32-29-26-23-20-17-14-11-2)78-56-42-57-79-83(74,80-61(4,5)6)64-60-67(9)48-51-70(60)45-39-36-33-30-27-24-21-18-15-12-3/h71H,10-57H2,1-9H3.
What are the key properties of 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol?
3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol has a molecular weight of 1236.64 g/mol, XLogP of 15.94, 53 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[3-[[(1-dodecyl-3-methylimidazolidin-2-ylidene)amino]-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-1-ol is sourced from PubChem (CID 165163781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).