deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)

C20H60N4O4 — CID 141334455

IUPACdeuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[2H-].[2H-].[2H-].[2H-]
InChIInChI=1S/4C5H14NO.4H/c4*1-6(2,3)4-5-7;;;;/h4*7H,4-5H2,1-3H3;;;;/q4*+1;4*-1/i;;;;4*1+1
InChIKeyIJOIZFSIMPEOAV-DZAJDSGJSA-N
MW424.75 g/mol
LogP-0.81
Rot. Bonds8

About deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)

deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium) (PubChem CID 141334455) has the molecular formula C20H60N4O4 and a molecular weight of 424.75 g/mol. Its IUPAC name is deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium).

Molecular Properties

Compound Namedeuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
PubChem CID141334455
Molecular FormulaC20H60N4O4
Molecular Weight424.75 g/mol
Exact Mass424.49
IUPAC Namedeuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[2H-].[2H-].[2H-].[2H-]
InChIInChI=1S/4C5H14NO.4H/c4*1-6(2,3)4-5-7;;;;/h4*7H,4-5H2,1-3H3;;;;/q4*+1;4*-1/i;;;;4*1+1
InChIKeyIJOIZFSIMPEOAV-DZAJDSGJSA-N
XLogP-0.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.75
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
CID 87573240
2-hydroxyethyl(trimethyl)azanium triiodide
CID 18406425
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)?
The IUPAC name of deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium) (CID 141334455) is deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium).
What is the SMILES notation for deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)?
The canonical SMILES for deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium) is C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.[2H-].[2H-].[2H-].[2H-].
What is the InChIKey of deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)?
The InChIKey is IJOIZFSIMPEOAV-DZAJDSGJSA-N. The full InChI is InChI=1S/4C5H14NO.4H/c4*1-6(2,3)4-5-7;;;;/h4*7H,4-5H2,1-3H3;;;;/q4*+1;4*-1/i;;;;4*1+1.
What are the key properties of deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)?
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium) has a molecular weight of 424.75 g/mol, XLogP of -0.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium) is sourced from PubChem (CID 141334455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).