(5S)-2,4,5-trimethylmorpholine

C7H15NO — CID 89376200

IUPAC(5S)-2,4,5-trimethylmorpholine
SMILESCC1CN(C)[C@@H](C)CO1
InChIInChI=1S/C7H15NO/c1-6-5-9-7(2)4-8(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyFVDFUBYPUYZAJL-PKPIPKONSA-N
MW129.20 g/mol
LogP0.73
Rot. Bonds

About (5S)-2,4,5-trimethylmorpholine

(5S)-2,4,5-trimethylmorpholine (PubChem CID 89376200) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (5S)-2,4,5-trimethylmorpholine.

Molecular Properties

Compound Name(5S)-2,4,5-trimethylmorpholine
PubChem CID89376200
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(5S)-2,4,5-trimethylmorpholine
SMILESCC1CN(C)[C@@H](C)CO1
InChIInChI=1S/C7H15NO/c1-6-5-9-7(2)4-8(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyFVDFUBYPUYZAJL-PKPIPKONSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,4,5-trimethylmorpholine?
The IUPAC name of (5S)-2,4,5-trimethylmorpholine (CID 89376200) is (5S)-2,4,5-trimethylmorpholine.
What is the SMILES notation for (5S)-2,4,5-trimethylmorpholine?
The canonical SMILES for (5S)-2,4,5-trimethylmorpholine is CC1CN(C)[C@@H](C)CO1.
What is the InChIKey of (5S)-2,4,5-trimethylmorpholine?
The InChIKey is FVDFUBYPUYZAJL-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-9-7(2)4-8(6)3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of (5S)-2,4,5-trimethylmorpholine?
(5S)-2,4,5-trimethylmorpholine has a molecular weight of 129.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,4,5-trimethylmorpholine is sourced from PubChem (CID 89376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).