4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol

C11H23NO3 — CID 81130508

IUPAC4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)C(C)(C)O
InChIInChI=1S/C11H23NO3/c1-9(10(2,3)13)12-8-11(14)4-6-15-7-5-11/h9,12-14H,4-8H2,1-3H3
InChIKeySWIUPFZBJABQIE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.28
Rot. Bonds4

About 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol

4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol (PubChem CID 81130508) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol
PubChem CID81130508
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)C(C)(C)O
InChIInChI=1S/C11H23NO3/c1-9(10(2,3)13)12-8-11(14)4-6-15-7-5-11/h9,12-14H,4-8H2,1-3H3
InChIKeySWIUPFZBJABQIE-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol (CID 81130508) is 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol is CC(NCC1(O)CCOCC1)C(C)(C)O.
What is the InChIKey of 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol?
The InChIKey is SWIUPFZBJABQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(10(2,3)13)12-8-11(14)4-6-15-7-5-11/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol?
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol has a molecular weight of 217.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).