2,3,4,5,6-pentamethylmorpholine

C9H19NO — CID 12728907

IUPAC2,3,4,5,6-pentamethylmorpholine
SMILESCC1OC(C)C(C)N(C)C1C
InChIInChI=1S/C9H19NO/c1-6-8(3)11-9(4)7(2)10(6)5/h6-9H,1-5H3
InChIKeyWRFGMXWDQDQRKO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.50
Rot. Bonds

About 2,3,4,5,6-pentamethylmorpholine

2,3,4,5,6-pentamethylmorpholine (PubChem CID 12728907) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylmorpholine.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylmorpholine
PubChem CID12728907
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,3,4,5,6-pentamethylmorpholine
SMILESCC1OC(C)C(C)N(C)C1C
InChIInChI=1S/C9H19NO/c1-6-8(3)11-9(4)7(2)10(6)5/h6-9H,1-5H3
InChIKeyWRFGMXWDQDQRKO-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylmorpholine?
The IUPAC name of 2,3,4,5,6-pentamethylmorpholine (CID 12728907) is 2,3,4,5,6-pentamethylmorpholine.
What is the SMILES notation for 2,3,4,5,6-pentamethylmorpholine?
The canonical SMILES for 2,3,4,5,6-pentamethylmorpholine is CC1OC(C)C(C)N(C)C1C.
What is the InChIKey of 2,3,4,5,6-pentamethylmorpholine?
The InChIKey is WRFGMXWDQDQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(3)11-9(4)7(2)10(6)5/h6-9H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethylmorpholine?
2,3,4,5,6-pentamethylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylmorpholine is sourced from PubChem (CID 12728907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).