(2S)-2,4-dimethylmorpholine;propane

C9H21NO — CID 178115221

IUPAC(2S)-2,4-dimethylmorpholine;propane
SMILESCCC.C[C@H]1CN(C)CCO1
InChIInChI=1S/C6H13NO.C3H8/c1-6-5-7(2)3-4-8-6;1-3-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m0./s1
InChIKeyXNKJOCIOJNOKDK-RGMNGODLSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds

About (2S)-2,4-dimethylmorpholine;propane

(2S)-2,4-dimethylmorpholine;propane (PubChem CID 178115221) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-2,4-dimethylmorpholine;propane.

Molecular Properties

Compound Name(2S)-2,4-dimethylmorpholine;propane
PubChem CID178115221
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-2,4-dimethylmorpholine;propane
SMILESCCC.C[C@H]1CN(C)CCO1
InChIInChI=1S/C6H13NO.C3H8/c1-6-5-7(2)3-4-8-6;1-3-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m0./s1
InChIKeyXNKJOCIOJNOKDK-RGMNGODLSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethylmorpholine;propane?
The IUPAC name of (2S)-2,4-dimethylmorpholine;propane (CID 178115221) is (2S)-2,4-dimethylmorpholine;propane.
What is the SMILES notation for (2S)-2,4-dimethylmorpholine;propane?
The canonical SMILES for (2S)-2,4-dimethylmorpholine;propane is CCC.C[C@H]1CN(C)CCO1.
What is the InChIKey of (2S)-2,4-dimethylmorpholine;propane?
The InChIKey is XNKJOCIOJNOKDK-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.C3H8/c1-6-5-7(2)3-4-8-6;1-3-2/h6H,3-5H2,1-2H3;3H2,1-2H3/t6-;/m0./s1.
What are the key properties of (2S)-2,4-dimethylmorpholine;propane?
(2S)-2,4-dimethylmorpholine;propane has a molecular weight of 159.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethylmorpholine;propane is sourced from PubChem (CID 178115221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).