3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol

C12H25NO2 — CID 103936738

IUPAC3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H25NO2/c1-5-12(14,6-2)9-13-7-10(3)15-11(4)8-13/h10-11,14H,5-9H2,1-4H3/t10-,11+
InChIKeyKYZQCGXYAYVRDS-PHIMTYICSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds4

About 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol

3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol (PubChem CID 103936738) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
PubChem CID103936738
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H25NO2/c1-5-12(14,6-2)9-13-7-10(3)15-11(4)8-13/h10-11,14H,5-9H2,1-4H3/t10-,11+
InChIKeyKYZQCGXYAYVRDS-PHIMTYICSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol (CID 103936738) is 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol?
The InChIKey is KYZQCGXYAYVRDS-PHIMTYICSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(14,6-2)9-13-7-10(3)15-11(4)8-13/h10-11,14H,5-9H2,1-4H3/t10-,11+.
What are the key properties of 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol?
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol is sourced from PubChem (CID 103936738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).