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

C11H23NO2 — CID 104752432

IUPAC2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyIXFMOJSJTZYUDR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds6

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

2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752432) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752432
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C11H23NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyIXFMOJSJTZYUDR-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611
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
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752432) is 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol is CCCCN(C)CC(O)C1CCOC1.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is IXFMOJSJTZYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-6-12(2)8-11(13)10-5-7-14-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol?
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).