3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol

C9H21NO3 — CID 115872995

IUPAC3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
SMILESCOCCN(CCO)CC(C)CO
InChIInChI=1S/C9H21NO3/c1-9(8-12)7-10(3-5-11)4-6-13-2/h9,11-12H,3-8H2,1-2H3
InChIKeyMCLACDBHFLLUFF-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.44
Rot. Bonds8

About 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol

3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol (PubChem CID 115872995) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
PubChem CID115872995
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
SMILESCOCCN(CCO)CC(C)CO
InChIInChI=1S/C9H21NO3/c1-9(8-12)7-10(3-5-11)4-6-13-2/h9,11-12H,3-8H2,1-2H3
InChIKeyMCLACDBHFLLUFF-UHFFFAOYSA-N
XLogP-0.44
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
2-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]propane-1-sulfonic acid
CID 89246913
(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
CID 122500925
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872820
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
2-[2,2-dimethoxyethyl(2-hydroxyethyl)amino]ethanol
CID 66222761
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol (CID 115872995) is 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol is COCCN(CCO)CC(C)CO.
What is the InChIKey of 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol?
The InChIKey is MCLACDBHFLLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(8-12)7-10(3-5-11)4-6-13-2/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol?
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115872995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).