2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol

C15H30N2O3 — CID 111332764

IUPAC2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
SMILESCC1CN(CC2CCCN2CCOCCO)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-13-10-16(11-14(2)20-13)12-15-4-3-5-17(15)6-8-19-9-7-18/h13-15,18H,3-12H2,1-2H3
InChIKeyXFDRKQYBRPKCFD-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.57
Rot. Bonds7

About 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol

2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol (PubChem CID 111332764) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
PubChem CID111332764
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
SMILESCC1CN(CC2CCCN2CCOCCO)CC(C)O1
InChIInChI=1S/C15H30N2O3/c1-13-10-16(11-14(2)20-13)12-15-4-3-5-17(15)6-8-19-9-7-18/h13-15,18H,3-12H2,1-2H3
InChIKeyXFDRKQYBRPKCFD-UHFFFAOYSA-N
XLogP0.57
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
CID 110931949
(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
CID 98786803
(2R,6R)-2,6-dimethyl-4-[[(2S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]morpholine
CID 124867185
2-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 111825684
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111439739
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-[2-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]ethanol
CID 75372902
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol (CID 111332764) is 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol is CC1CN(CC2CCCN2CCOCCO)CC(C)O1.
What is the InChIKey of 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The InChIKey is XFDRKQYBRPKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13-10-16(11-14(2)20-13)12-15-4-3-5-17(15)6-8-19-9-7-18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol has a molecular weight of 286.42 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111332764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).