3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol

C12H23NO3 — CID 106100604

IUPAC3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1(C)CCC(CNCC2(O)CCOC2)O1
InChIInChI=1S/C12H23NO3/c1-11(2)4-3-10(16-11)7-13-8-12(14)5-6-15-9-12/h10,13-14H,3-9H2,1-2H3
InChIKeyAJLSXGZMUGLMNF-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.69
Rot. Bonds4

About 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol

3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100604) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106100604
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol
SMILESCC1(C)CCC(CNCC2(O)CCOC2)O1
InChIInChI=1S/C12H23NO3/c1-11(2)4-3-10(16-11)7-13-8-12(14)5-6-15-9-12/h10,13-14H,3-9H2,1-2H3
InChIKeyAJLSXGZMUGLMNF-UHFFFAOYSA-N
XLogP0.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228

Frequently Asked Questions

What is the IUPAC name of 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol (CID 106100604) is 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol is CC1(C)CCC(CNCC2(O)CCOC2)O1.
What is the InChIKey of 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is AJLSXGZMUGLMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)4-3-10(16-11)7-13-8-12(14)5-6-15-9-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol?
3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5,5-dimethyloxolan-2-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).