2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol

C15H34N2O5 — CID 68855298

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
SMILESCN(CCO)CCO.CN(CCO)CCO[C@@H]1CCCCO1
InChIInChI=1S/C10H21NO3.C5H13NO2/c1-11(5-7-12)6-9-14-10-4-2-3-8-13-10;1-6(2-4-7)3-5-8/h10,12H,2-9H2,1H3;7-8H,2-5H2,1H3/t10-;/m1./s1
InChIKeyFHJYMALEEVXCRH-HNCPQSOCSA-N
MW322.45 g/mol
LogP-0.64
Rot. Bonds10

About 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol

2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol (PubChem CID 68855298) has the molecular formula C15H34N2O5 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
PubChem CID68855298
Molecular FormulaC15H34N2O5
Molecular Weight322.45 g/mol
Exact Mass322.25
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
SMILESCN(CCO)CCO.CN(CCO)CCO[C@@H]1CCCCO1
InChIInChI=1S/C10H21NO3.C5H13NO2/c1-11(5-7-12)6-9-14-10-4-2-3-8-13-10;1-6(2-4-7)3-5-8/h10,12H,2-9H2,1H3;7-8H,2-5H2,1H3/t10-;/m1./s1
InChIKeyFHJYMALEEVXCRH-HNCPQSOCSA-N
XLogP-0.64
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
CID 146469318
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
CID 102858494
N',2,2-trimethyl-N'-[2-(oxan-2-yloxy)ethyl]propane-1,3-diamine
CID 79652545
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
N-methyl-2-(oxan-2-yloxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636343
3-(dimethylamino)-4-(oxan-2-yloxy)butan-1-ol
CID 121005916
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(2R)-N-tert-butyl-2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]propanamide
CID 100668822

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol (CID 68855298) is 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol is CN(CCO)CCO.CN(CCO)CCO[C@@H]1CCCCO1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol?
The InChIKey is FHJYMALEEVXCRH-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H21NO3.C5H13NO2/c1-11(5-7-12)6-9-14-10-4-2-3-8-13-10;1-6(2-4-7)3-5-8/h10,12H,2-9H2,1H3;7-8H,2-5H2,1H3/t10-;/m1./s1.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol?
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol has a molecular weight of 322.45 g/mol, XLogP of -0.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol is sourced from PubChem (CID 68855298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).