ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium

C33H96N7O6+7 — CID 160968365

IUPACethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium
SMILESC.CC[N+](C)(C)C.CC[N+](C)(C)CO.C[N+](C)(C)C.C[N+](C)(C)CCO.C[N+](C)(C)CO.C[N+](C)(C)CO.C[N+](C)(CO)CCO
InChIInChI=1S/C5H14NO2.2C5H14NO.C5H14N.2C4H12NO.C4H12N.CH4/c1-6(2,5-8)3-4-7;1-6(2,3)4-5-7;1-4-6(2,3)5-7;1-5-6(2,3)4;2*1-5(2,3)4-6;1-5(2,3)4;/h7-8H,3-5H2,1-2H3;2*7H,4-5H2,1-3H3;5H2,1-4H3;2*6H,4H2,1-3H3;1-4H3;1H4/q7*+1;
InChIKeySXXPUYGUUXYENH-UHFFFAOYSA-N
MW687.17 g/mol
LogP-0.32
Rot. Bonds10

About ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium

ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium (PubChem CID 160968365) has the molecular formula C33H96N7O6+7 and a molecular weight of 687.17 g/mol. Its IUPAC name is ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium.

Molecular Properties

Compound Nameethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium
PubChem CID160968365
Molecular FormulaC33H96N7O6+7
Molecular Weight687.17 g/mol
Exact Mass686.74
IUPAC Nameethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium
SMILESC.CC[N+](C)(C)C.CC[N+](C)(C)CO.C[N+](C)(C)C.C[N+](C)(C)CCO.C[N+](C)(C)CO.C[N+](C)(C)CO.C[N+](C)(CO)CCO
InChIInChI=1S/C5H14NO2.2C5H14NO.C5H14N.2C4H12NO.C4H12N.CH4/c1-6(2,5-8)3-4-7;1-6(2,3)4-5-7;1-4-6(2,3)5-7;1-5-6(2,3)4;2*1-5(2,3)4-6;1-5(2,3)4;/h7-8H,3-5H2,1-2H3;2*7H,4-5H2,1-3H3;5H2,1-4H3;2*6H,4H2,1-3H3;1-4H3;1H4/q7*+1;
InChIKeySXXPUYGUUXYENH-UHFFFAOYSA-N
XLogP-0.32
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
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
tris(2-hydroxyethyl(trimethyl)azanium);1,3,5-triazine-2,4,6-triolate
CID 173110751
N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium
CID 87670137
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523

Frequently Asked Questions

What is the IUPAC name of ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium?
The IUPAC name of ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium (CID 160968365) is ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium.
What is the SMILES notation for ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium?
The canonical SMILES for ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium is C.CC[N+](C)(C)C.CC[N+](C)(C)CO.C[N+](C)(C)C.C[N+](C)(C)CCO.C[N+](C)(C)CO.C[N+](C)(C)CO.C[N+](C)(CO)CCO.
What is the InChIKey of ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium?
The InChIKey is SXXPUYGUUXYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO2.2C5H14NO.C5H14N.2C4H12NO.C4H12N.CH4/c1-6(2,5-8)3-4-7;1-6(2,3)4-5-7;1-4-6(2,3)5-7;1-5-6(2,3)4;2*1-5(2,3)4-6;1-5(2,3)4;/h7-8H,3-5H2,1-2H3;2*7H,4-5H2,1-3H3;5H2,1-4H3;2*6H,4H2,1-3H3;1-4H3;1H4/q7*+1;.
What are the key properties of ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium?
ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium has a molecular weight of 687.17 g/mol, XLogP of -0.32, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium is sourced from PubChem (CID 160968365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).