4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C14H27NO3 — CID 79929043

IUPAC4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O
InChIInChI=1S/C14H27NO3/c1-12(2,17)9-15(7)8-10-11(16)14(5,6)18-13(10,3)4/h10,17H,8-9H2,1-7H3
InChIKeySGCUCTFBAYTOHE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.46
Rot. Bonds4

About 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79929043) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79929043
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O
InChIInChI=1S/C14H27NO3/c1-12(2,17)9-15(7)8-10-11(16)14(5,6)18-13(10,3)4/h10,17H,8-9H2,1-7H3
InChIKeySGCUCTFBAYTOHE-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79929043) is 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O.
What is the InChIKey of 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is SGCUCTFBAYTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2,17)9-15(7)8-10-11(16)14(5,6)18-13(10,3)4/h10,17H,8-9H2,1-7H3.
What are the key properties of 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 257.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79929043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).