(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine

C10H21NO — CID 59447933

IUPAC(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1[C@H](C)[C@H](C)OC[C@@H]1C
InChIInChI=1S/C10H21NO/c1-7(2)11-8(3)6-12-10(5)9(11)4/h7-10H,6H2,1-5H3/t8-,9+,10-/m0/s1
InChIKeySPDWKLSNNCMEJV-AEJSXWLSSA-N
MW171.28 g/mol
LogP1.89
Rot. Bonds1

About (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine

(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine (PubChem CID 59447933) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine
PubChem CID59447933
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1[C@H](C)[C@H](C)OC[C@@H]1C
InChIInChI=1S/C10H21NO/c1-7(2)11-8(3)6-12-10(5)9(11)4/h7-10H,6H2,1-5H3/t8-,9+,10-/m0/s1
InChIKeySPDWKLSNNCMEJV-AEJSXWLSSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine?
The IUPAC name of (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine (CID 59447933) is (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine?
The canonical SMILES for (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine is CC(C)N1[C@H](C)[C@H](C)OC[C@@H]1C.
What is the InChIKey of (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine?
The InChIKey is SPDWKLSNNCMEJV-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)11-8(3)6-12-10(5)9(11)4/h7-10H,6H2,1-5H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine?
(2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2,3,5-trimethyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 59447933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).