3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one

C14H27NO2 — CID 129121682

IUPAC3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one
SMILESCC(C)(C)CC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-14(4,5)10-12(16)15-6-8-17-9-7-15/h6-11H2,1-5H3
InChIKeyBMWYLPVAGKVZPP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one

3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one (PubChem CID 129121682) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one
PubChem CID129121682
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one
SMILESCC(C)(C)CC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-14(4,5)10-12(16)15-6-8-17-9-7-15/h6-11H2,1-5H3
InChIKeyBMWYLPVAGKVZPP-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one (CID 129121682) is 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one is CC(C)(C)CC(C)(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is BMWYLPVAGKVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)11-14(4,5)10-12(16)15-6-8-17-9-7-15/h6-11H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one?
3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 129121682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).