2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium

C19H44N2O3P+ — CID 44574643

IUPAC2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium
SMILESCCCCCCCCCCCCCCOP(=O)(O)NCC[N+](C)(C)C
InChIInChI=1S/C19H43N2O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-25(22,23)20-17-18-21(2,3)4/h5-19H2,1-4H3,(H-,20,22,23)/p+1
InChIKeyIAVRAGPLBHHZPL-UHFFFAOYSA-O
MW379.55 g/mol
LogP5.10
Rot. Bonds18

About 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium

2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium (PubChem CID 44574643) has the molecular formula C19H44N2O3P+ and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium
PubChem CID44574643
Molecular FormulaC19H44N2O3P+
Molecular Weight379.55 g/mol
Exact Mass379.31
IUPAC Name2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium
SMILESCCCCCCCCCCCCCCOP(=O)(O)NCC[N+](C)(C)C
InChIInChI=1S/C19H43N2O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-25(22,23)20-17-18-21(2,3)4/h5-19H2,1-4H3,(H-,20,22,23)/p+1
InChIKeyIAVRAGPLBHHZPL-UHFFFAOYSA-O
XLogP5.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(octadecoxy)phosphoryl]oxypropyl-trimethylazanium
CID 58922759
3-[hexadecoxy(hydroxy)phosphoryl]oxypropyl-trimethylazanium
CID 23641649
2-[[hydroxy(pentadecoxy)phosphoryl]methoxy]ethyl-trimethylazanium
CID 10046997
hexadecyl hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 173035540
2-[bis(10-hexylsulfanyloctadecoxy)phosphorylamino]ethyl-trimethylazanium
CID 126737815
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide
CID 29468
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
decyl(trimethyl)azanium;dioctyl phosphate
CID 170436179
bis(decyl(trimethyl)azanium);octyl phosphate
CID 170436231
4-(octadecylamino)butyl 2-(trimethylazaniumyl)ethyl phosphate
CID 13282785
2-[hydroxy-[(Z)-nonadec-10-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11744356
2-[2-(hexadecylamino)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 13282780

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium (CID 44574643) is 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium is CCCCCCCCCCCCCCOP(=O)(O)NCC[N+](C)(C)C.
What is the InChIKey of 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium?
The InChIKey is IAVRAGPLBHHZPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H43N2O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-25(22,23)20-17-18-21(2,3)4/h5-19H2,1-4H3,(H-,20,22,23)/p+1.
What are the key properties of 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium?
2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium has a molecular weight of 379.55 g/mol, XLogP of 5.10, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(tetradecoxy)phosphoryl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 44574643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).