2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one

C13H25NO2 — CID 166460737

IUPAC2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
SMILESCC(C(=O)C(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(12(15)13(3,4)5)11(2)14-6-8-16-9-7-14/h10-11H,6-9H2,1-5H3
InChIKeySTEVNXOKSRSXII-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds3

About 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one

2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one (PubChem CID 166460737) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
PubChem CID166460737
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one
SMILESCC(C(=O)C(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-10(12(15)13(3,4)5)11(2)14-6-8-16-9-7-14/h10-11H,6-9H2,1-5H3
InChIKeySTEVNXOKSRSXII-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 119878462
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
3,3-dimethyl-4-morpholin-4-ylpentan-2-one
CID 13398806
3-methyl-2-morpholin-4-ylbutanoic acid
CID 43104020
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
CID 167278501
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
4,4-dimethyl-3-morpholin-4-ylpentanoic acid
CID 64526552
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one?
The IUPAC name of 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one (CID 166460737) is 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one.
What is the SMILES notation for 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one?
The canonical SMILES for 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one is CC(C(=O)C(C)(C)C)C(C)N1CCOCC1.
What is the InChIKey of 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one?
The InChIKey is STEVNXOKSRSXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(12(15)13(3,4)5)11(2)14-6-8-16-9-7-14/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one?
2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one has a molecular weight of 227.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 166460737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).