3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol

C12H25NO2 — CID 103061455

IUPAC3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC1COCCC1O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)9-13(4)7-10-8-15-6-5-11(10)14/h10-11,14H,5-9H2,1-4H3
InChIKeyLERJKLISLZYETI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.36
Rot. Bonds3

About 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol

3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol (PubChem CID 103061455) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
PubChem CID103061455
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
SMILESCN(CC1COCCC1O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)9-13(4)7-10-8-15-6-5-11(10)14/h10-11,14H,5-9H2,1-4H3
InChIKeyLERJKLISLZYETI-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
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
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 82754506
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol?
The IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol (CID 103061455) is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol is CN(CC1COCCC1O)CC(C)(C)C.
What is the InChIKey of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol?
The InChIKey is LERJKLISLZYETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)9-13(4)7-10-8-15-6-5-11(10)14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol?
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol has a molecular weight of 215.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 103061455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).