[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium

C19H48N4O3+4 — CID 102027380

IUPAC[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C19H48N4O3/c1-20(2,3)11-17(24)13-22(7,8)15-19(26)16-23(9,10)14-18(25)12-21(4,5)6/h17-19,24-26H,11-16H2,1-10H3/q+4
InChIKeyQOBOAEBSMACNJN-UHFFFAOYSA-N
MW380.62 g/mol
LogP-1.37
Rot. Bonds12

About [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium

[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium (PubChem CID 102027380) has the molecular formula C19H48N4O3+4 and a molecular weight of 380.62 g/mol. Its IUPAC name is [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
PubChem CID102027380
Molecular FormulaC19H48N4O3+4
Molecular Weight380.62 g/mol
Exact Mass380.37
IUPAC Name[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C19H48N4O3/c1-20(2,3)11-17(24)13-22(7,8)15-19(26)16-23(9,10)14-18(25)12-21(4,5)6/h17-19,24-26H,11-16H2,1-10H3/q+4
InChIKeyQOBOAEBSMACNJN-UHFFFAOYSA-N
XLogP-1.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
[3-[dimethyl-[3-(methylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 134449723
bis(2,2-dihydroxyethyl)-dimethylazanium
CID 19613998
azane;(3-chloro-2-hydroxypropyl)-trimethylazanium;chloride;hydrochloride
CID 174761463
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
(3-bromo-2-hydroxypropyl)-trimethylazanium bromide
CID 15617985
benzyl-[3-[[3-[[3-[benzyl(dimethyl)azaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazanium tetrachloride
CID 21097406
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium (CID 102027380) is [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium is C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
The InChIKey is QOBOAEBSMACNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H48N4O3/c1-20(2,3)11-17(24)13-22(7,8)15-19(26)16-23(9,10)14-18(25)12-21(4,5)6/h17-19,24-26H,11-16H2,1-10H3/q+4.
What are the key properties of [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium?
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium has a molecular weight of 380.62 g/mol, XLogP of -1.37, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium is sourced from PubChem (CID 102027380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).