3-[[butyl(methyl)amino]methyl]oxan-4-ol

C11H23NO2 — CID 103061166

IUPAC3-[[butyl(methyl)amino]methyl]oxan-4-ol
SMILESCCCCN(C)CC1COCCC1O
InChIInChI=1S/C11H23NO2/c1-3-4-6-12(2)8-10-9-14-7-5-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyBMBCUIKCBGPYHM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds5

About 3-[[butyl(methyl)amino]methyl]oxan-4-ol

3-[[butyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 103061166) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[[butyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[butyl(methyl)amino]methyl]oxan-4-ol
PubChem CID103061166
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[[butyl(methyl)amino]methyl]oxan-4-ol
SMILESCCCCN(C)CC1COCCC1O
InChIInChI=1S/C11H23NO2/c1-3-4-6-12(2)8-10-9-14-7-5-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyBMBCUIKCBGPYHM-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
CID 103061306
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
N-butyl-N-methyloxolan-3-amine
CID 154189060
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 3-[[butyl(methyl)amino]methyl]oxan-4-ol (CID 103061166) is 3-[[butyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[butyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[butyl(methyl)amino]methyl]oxan-4-ol is CCCCN(C)CC1COCCC1O.
What is the InChIKey of 3-[[butyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is BMBCUIKCBGPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-6-12(2)8-10-9-14-7-5-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-[[butyl(methyl)amino]methyl]oxan-4-ol?
3-[[butyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103061166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).