4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C14H29NO4 — CID 79929226

IUPAC4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCC(O)CN(C)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO4/c1-13(2)11(12(17)14(3,4)19-13)8-15(5)7-10(16)9-18-6/h10-12,16-17H,7-9H2,1-6H3
InChIKeyRWSVGCUWELTDNR-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.49
Rot. Bonds6

About 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79929226) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79929226
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCC(O)CN(C)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C14H29NO4/c1-13(2)11(12(17)14(3,4)19-13)8-15(5)7-10(16)9-18-6/h10-12,16-17H,7-9H2,1-6H3
InChIKeyRWSVGCUWELTDNR-UHFFFAOYSA-N
XLogP0.49
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79929226) is 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is COCC(O)CN(C)CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is RWSVGCUWELTDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-13(2)11(12(17)14(3,4)19-13)8-15(5)7-10(16)9-18-6/h10-12,16-17H,7-9H2,1-6H3.
What are the key properties of 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 275.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79929226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).