4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol

C11H23NO4 — CID 114950482

IUPAC4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
SMILESCOC(CN(C)CC1(O)CCOCC1)OC
InChIInChI=1S/C11H23NO4/c1-12(8-10(14-2)15-3)9-11(13)4-6-16-7-5-11/h10,13H,4-9H2,1-3H3
InChIKeyIQSQMYGORWRNRR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.08
Rot. Bonds6

About 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol

4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 114950482) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
PubChem CID114950482
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol
SMILESCOC(CN(C)CC1(O)CCOCC1)OC
InChIInChI=1S/C11H23NO4/c1-12(8-10(14-2)15-3)9-11(13)4-6-16-7-5-11/h10,13H,4-9H2,1-3H3
InChIKeyIQSQMYGORWRNRR-UHFFFAOYSA-N
XLogP0.08
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]piperidin-4-ol
CID 126846959
methyl 2-bromo-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanoate
CID 114950227
4-[[(2-hydroxy-3,3-dimethylbutyl)-methylamino]methyl]oxan-4-ol
CID 114265312
4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol
CID 114951900
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanethioamide
CID 103368843
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[(3-bromo-2-phenylpropyl)-methylamino]methyl]oxan-4-ol
CID 114952447

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol (CID 114950482) is 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol is COC(CN(C)CC1(O)CCOCC1)OC.
What is the InChIKey of 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is IQSQMYGORWRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-12(8-10(14-2)15-3)9-11(13)4-6-16-7-5-11/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol?
4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 233.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethoxyethyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114950482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).