2,5-dimethyl-2-morpholin-4-yloctan-3-one

C14H27NO2 — CID 79045428

IUPAC2,5-dimethyl-2-morpholin-4-yloctan-3-one
SMILESCCCC(C)CC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-5-6-12(2)11-13(16)14(3,4)15-7-9-17-10-8-15/h12H,5-11H2,1-4H3
InChIKeyWGNPKSPPIKBKQX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About 2,5-dimethyl-2-morpholin-4-yloctan-3-one

2,5-dimethyl-2-morpholin-4-yloctan-3-one (PubChem CID 79045428) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2,5-dimethyl-2-morpholin-4-yloctan-3-one.

Molecular Properties

Compound Name2,5-dimethyl-2-morpholin-4-yloctan-3-one
PubChem CID79045428
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2,5-dimethyl-2-morpholin-4-yloctan-3-one
SMILESCCCC(C)CC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H27NO2/c1-5-6-12(2)11-13(16)14(3,4)15-7-9-17-10-8-15/h12H,5-11H2,1-4H3
InChIKeyWGNPKSPPIKBKQX-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-morpholin-4-yloctan-3-ol
CID 79045735
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
3-amino-3,6-dimethylnonan-4-one
CID 116590350
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
[2-[(4S)-2,4-dimethyloctan-2-yl]oxy-2-oxoethyl] 2-methyl-2-morpholin-4-ylpropanoate
CID 170223279
(3-methyl-3-morpholin-4-ylheptan-4-yl)hydrazine
CID 105241447
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-morpholin-4-yloctan-3-one?
The IUPAC name of 2,5-dimethyl-2-morpholin-4-yloctan-3-one (CID 79045428) is 2,5-dimethyl-2-morpholin-4-yloctan-3-one.
What is the SMILES notation for 2,5-dimethyl-2-morpholin-4-yloctan-3-one?
The canonical SMILES for 2,5-dimethyl-2-morpholin-4-yloctan-3-one is CCCC(C)CC(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of 2,5-dimethyl-2-morpholin-4-yloctan-3-one?
The InChIKey is WGNPKSPPIKBKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-12(2)11-13(16)14(3,4)15-7-9-17-10-8-15/h12H,5-11H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-morpholin-4-yloctan-3-one?
2,5-dimethyl-2-morpholin-4-yloctan-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-morpholin-4-yloctan-3-one is sourced from PubChem (CID 79045428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).