2,6-dimethylmorpholine;propane

C9H21NO — CID 143985013

IUPAC2,6-dimethylmorpholine;propane
SMILESCC1CNCC(C)O1.CCC
InChIInChI=1S/C6H13NO.C3H8/c1-5-3-7-4-6(2)8-5;1-3-2/h5-7H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyLTAWIORFZPMBFL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds

About 2,6-dimethylmorpholine;propane

2,6-dimethylmorpholine;propane (PubChem CID 143985013) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,6-dimethylmorpholine;propane.

Molecular Properties

Compound Name2,6-dimethylmorpholine;propane
PubChem CID143985013
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,6-dimethylmorpholine;propane
SMILESCC1CNCC(C)O1.CCC
InChIInChI=1S/C6H13NO.C3H8/c1-5-3-7-4-6(2)8-5;1-3-2/h5-7H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyLTAWIORFZPMBFL-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine;propane?
The IUPAC name of 2,6-dimethylmorpholine;propane (CID 143985013) is 2,6-dimethylmorpholine;propane.
What is the SMILES notation for 2,6-dimethylmorpholine;propane?
The canonical SMILES for 2,6-dimethylmorpholine;propane is CC1CNCC(C)O1.CCC.
What is the InChIKey of 2,6-dimethylmorpholine;propane?
The InChIKey is LTAWIORFZPMBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H8/c1-5-3-7-4-6(2)8-5;1-3-2/h5-7H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 2,6-dimethylmorpholine;propane?
2,6-dimethylmorpholine;propane has a molecular weight of 159.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine;propane is sourced from PubChem (CID 143985013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).