2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one

C15H29NO2 — CID 165459746

IUPAC2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one
SMILESCC(C)C(=O)CCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-12(2)13(17)8-7-9-16-10-14(3,4)18-15(5,6)11-16/h12H,7-11H2,1-6H3
InChIKeyCLPMWKROYQFSHT-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds5

About 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one

2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one (PubChem CID 165459746) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one.

Molecular Properties

Compound Name2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one
PubChem CID165459746
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one
SMILESCC(C)C(=O)CCCN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-12(2)13(17)8-7-9-16-10-14(3,4)18-15(5,6)11-16/h12H,7-11H2,1-6H3
InChIKeyCLPMWKROYQFSHT-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoic acid
CID 102744515
4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
CID 102745281
4-(5-chloropentyl)-2,2,6,6-tetramethylmorpholine
CID 102745265
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
CID 169158348
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
N-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743494
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102744768
methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
CID 102744546
N-ethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one?
The IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one (CID 165459746) is 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one.
What is the SMILES notation for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one?
The canonical SMILES for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one is CC(C)C(=O)CCCN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one?
The InChIKey is CLPMWKROYQFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)13(17)8-7-9-16-10-14(3,4)18-15(5,6)11-16/h12H,7-11H2,1-6H3.
What are the key properties of 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one?
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one is sourced from PubChem (CID 165459746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).