3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol

C11H23NO3 — CID 106100165

IUPAC3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC(C)(C)CO
InChIInChI=1S/C11H23NO3/c1-9-11(14,4-5-15-9)7-12-6-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyHCKISHNFVOMIIZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.13
Rot. Bonds5

About 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100165) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106100165
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC(C)(C)CO
InChIInChI=1S/C11H23NO3/c1-9-11(14,4-5-15-9)7-12-6-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyHCKISHNFVOMIIZ-UHFFFAOYSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106101170
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
2-methyl-3-[(pyrrolidin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100173
3-[(3,3-diethoxypropylamino)methyl]-2-methyloxolan-3-ol
CID 114143474

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol (CID 106100165) is 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCC(C)(C)CO.
What is the InChIKey of 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is HCKISHNFVOMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9-11(14,4-5-15-9)7-12-6-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 217.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).