2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol

C11H23NO3 — CID 104752833

IUPAC2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-11(13)10-4-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyHBFIWPXWODALDJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.35
Rot. Bonds7

About 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol

2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752833) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752833
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-11(13)10-4-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyHBFIWPXWODALDJ-UHFFFAOYSA-N
XLogP0.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752833) is 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol is COCCCN(C)CC(O)C1CCOC1.
What is the InChIKey of 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is HBFIWPXWODALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-11(13)10-4-7-15-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 217.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).