2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol

C6H15NO3 — CID 22736291

IUPAC2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCCO
InChIInChI=1S/C6H15NO3/c1-6(4-9,5-10)7-2-3-8/h7-10H,2-5H2,1H3
InChIKeyHQEMPHNKLPJTPX-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.69
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol

2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol (PubChem CID 22736291) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol
PubChem CID22736291
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCCO
InChIInChI=1S/C6H15NO3/c1-6(4-9,5-10)7-2-3-8/h7-10H,2-5H2,1H3
InChIKeyHQEMPHNKLPJTPX-UHFFFAOYSA-N
XLogP-1.69
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-Butylamino)ethanol
CID 78361
2-[(2-Hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol
CID 81798
2-Methyl-2-methylamino-1-propanol
CID 422780
2-(Ethylamino)-2-methylpropan-1-ol
CID 15105174
2-((Hydroxymethyl)amino)-2-methylpropanol
CID 62014
2-(Methylamino)propane-1,3-diol
CID 20545753
2-Methyl-2-(propan-2-ylamino)propan-1-ol
CID 15105175
2-(Ethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 1532701
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578
2-[(2-Hydroxyethyl)amino]-2-methylpropan-1-ol
CID 2777768
2-((1,3-Dihydroxypropan-2-yl)amino)propane-1,3-diol
CID 10702193
2-(Ethylamino)propan-1-ol
CID 14302278

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol (CID 22736291) is 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol is CC(CO)(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol?
The InChIKey is HQEMPHNKLPJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-6(4-9,5-10)7-2-3-8/h7-10H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol?
2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol has a molecular weight of 149.19 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 22736291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).