2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol

C11H23NO3 — CID 64808669

IUPAC2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
SMILESCNC(C)(CO)COCC1CCOCC1
InChIInChI=1S/C11H23NO3/c1-11(8-13,12-2)9-15-7-10-3-5-14-6-4-10/h10,12-13H,3-9H2,1-2H3
InChIKeyYBASHYUZIUPRKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.40
Rot. Bonds6

About 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol

2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol (PubChem CID 64808669) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
PubChem CID64808669
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
SMILESCNC(C)(CO)COCC1CCOCC1
InChIInChI=1S/C11H23NO3/c1-11(8-13,12-2)9-15-7-10-3-5-14-6-4-10/h10,12-13H,3-9H2,1-2H3
InChIKeyYBASHYUZIUPRKH-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol (CID 64808669) is 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol is CNC(C)(CO)COCC1CCOCC1.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol?
The InChIKey is YBASHYUZIUPRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(8-13,12-2)9-15-7-10-3-5-14-6-4-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol?
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol is sourced from PubChem (CID 64808669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).