(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine

C11H23NO2 — CID 176863413

IUPAC(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine
SMILESCC(C)O[C@@H](C)[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-8(2)13-9(3)10-6-12-7-11(4,5)14-10/h8-10,12H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeySQJNYISBOFOIMG-UWVGGRQHSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds3

About (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine

(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine (PubChem CID 176863413) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine.

Molecular Properties

Compound Name(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine
PubChem CID176863413
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine
SMILESCC(C)O[C@@H](C)[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-8(2)13-9(3)10-6-12-7-11(4,5)14-10/h8-10,12H,6-7H2,1-5H3/t9-,10-/m0/s1
InChIKeySQJNYISBOFOIMG-UWVGGRQHSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine?
The IUPAC name of (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine (CID 176863413) is (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine.
What is the SMILES notation for (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine?
The canonical SMILES for (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine is CC(C)O[C@@H](C)[C@@H]1CNCC(C)(C)O1.
What is the InChIKey of (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine?
The InChIKey is SQJNYISBOFOIMG-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)13-9(3)10-6-12-7-11(4,5)14-10/h8-10,12H,6-7H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine?
(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine is sourced from PubChem (CID 176863413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).