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

C11H23NO3 — CID 103061552

IUPAC3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
SMILESCOCCCN(C)CC1COCCC1O
InChIInChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-10-9-15-7-4-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyGNYVJJDYNLMKSC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.35
Rot. Bonds6

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

3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 103061552) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
PubChem CID103061552
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
SMILESCOCCCN(C)CC1COCCC1O
InChIInChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-10-9-15-7-4-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyGNYVJJDYNLMKSC-UHFFFAOYSA-N
XLogP0.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
3-[[cycloheptyl(methyl)amino]methyl]oxan-4-ol
CID 103061306
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
3-[[3-methoxypropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008015
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol (CID 103061552) is 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol is COCCCN(C)CC1COCCC1O.
What is the InChIKey of 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is GNYVJJDYNLMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-12(5-3-6-14-2)8-10-9-15-7-4-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol?
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 217.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103061552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).