(2S,6R)-2,6-dimethyl-4-propylmorpholine

C9H19NO — CID 51655502

IUPAC(2S,6R)-2,6-dimethyl-4-propylmorpholine
SMILESCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H19NO/c1-4-5-10-6-8(2)11-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyQOXQMYWIODKZRE-DTORHVGOSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-4-propylmorpholine

(2S,6R)-2,6-dimethyl-4-propylmorpholine (PubChem CID 51655502) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-propylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-propylmorpholine
PubChem CID51655502
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,6R)-2,6-dimethyl-4-propylmorpholine
SMILESCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H19NO/c1-4-5-10-6-8(2)11-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyQOXQMYWIODKZRE-DTORHVGOSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-propylmorpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-propylmorpholine (CID 51655502) is (2S,6R)-2,6-dimethyl-4-propylmorpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-propylmorpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-propylmorpholine is CCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-propylmorpholine?
The InChIKey is QOXQMYWIODKZRE-DTORHVGOSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-10-6-8(2)11-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-propylmorpholine?
(2S,6R)-2,6-dimethyl-4-propylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-propylmorpholine is sourced from PubChem (CID 51655502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).