2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium

C6H16NO2+ — CID 7004670

IUPAC2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]CCO
InChIInChI=1S/C6H15NO2/c1-6(2,5-9)7-3-4-8/h7-9H,3-5H2,1-2H3/p+1
InChIKeyGRLBHPWORYJVEH-UHFFFAOYSA-O
MW134.20 g/mol
LogP-1.69
Rot. Bonds4

About 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium

2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium (PubChem CID 7004670) has the molecular formula C6H16NO2+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium
PubChem CID7004670
Molecular FormulaC6H16NO2+
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)(CO)[NH2+]CCO
InChIInChI=1S/C6H15NO2/c1-6(2,5-9)7-3-4-8/h7-9H,3-5H2,1-2H3/p+1
InChIKeyGRLBHPWORYJVEH-UHFFFAOYSA-O
XLogP-1.69
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide
CID 126957355
(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
CID 6994569
2-hydroxyethyl(methyl)azanium iodide
CID 87299375
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
azanium bis(2-hydroxyethyl)azanium
CID 18521410
CID 87364467
CID 87364467
2,2-di(methyl)propan-1-ol
CID 135993184
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The IUPAC name of 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium (CID 7004670) is 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium is CC(C)(CO)[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
The InChIKey is GRLBHPWORYJVEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO2/c1-6(2,5-9)7-3-4-8/h7-9H,3-5H2,1-2H3/p+1.
What are the key properties of 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium?
2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium has a molecular weight of 134.20 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 7004670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).