2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol

C16H31NO3 — CID 79929474

IUPAC2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol
SMILESCN(CC1CCOCC1)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-14,18H,6-11H2,1-5H3
InChIKeyQJGIZPVLYJAQPC-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.91
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol

2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol (PubChem CID 79929474) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol
PubChem CID79929474
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol
SMILESCN(CC1CCOCC1)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-14,18H,6-11H2,1-5H3
InChIKeyQJGIZPVLYJAQPC-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol (CID 79929474) is 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol is CN(CC1CCOCC1)CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol?
The InChIKey is QJGIZPVLYJAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol?
2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol has a molecular weight of 285.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 79929474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).