2,5-dimethyl-5-morpholin-4-ylheptan-4-one

C13H25NO2 — CID 79065685

IUPAC2,5-dimethyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CC(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-5-13(4,12(15)10-11(2)3)14-6-8-16-9-7-14/h11H,5-10H2,1-4H3
InChIKeyUFIDWNPTADJOHA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds5

About 2,5-dimethyl-5-morpholin-4-ylheptan-4-one

2,5-dimethyl-5-morpholin-4-ylheptan-4-one (PubChem CID 79065685) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,5-dimethyl-5-morpholin-4-ylheptan-4-one.

Molecular Properties

Compound Name2,5-dimethyl-5-morpholin-4-ylheptan-4-one
PubChem CID79065685
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,5-dimethyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CC(C)C)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-5-13(4,12(15)10-11(2)3)14-6-8-16-9-7-14/h11H,5-10H2,1-4H3
InChIKeyUFIDWNPTADJOHA-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-5-piperidin-1-ylheptan-4-one
CID 79064976
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
CID 114854047
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
CID 82920402
2,5-dimethyl-2-morpholin-4-yloctan-3-one
CID 79045428
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 66596867
4-methyl-4-piperidin-1-ylhexan-3-one
CID 79069360
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-morpholin-4-ylheptan-4-one?
The IUPAC name of 2,5-dimethyl-5-morpholin-4-ylheptan-4-one (CID 79065685) is 2,5-dimethyl-5-morpholin-4-ylheptan-4-one.
What is the SMILES notation for 2,5-dimethyl-5-morpholin-4-ylheptan-4-one?
The canonical SMILES for 2,5-dimethyl-5-morpholin-4-ylheptan-4-one is CCC(C)(C(=O)CC(C)C)N1CCOCC1.
What is the InChIKey of 2,5-dimethyl-5-morpholin-4-ylheptan-4-one?
The InChIKey is UFIDWNPTADJOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(4,12(15)10-11(2)3)14-6-8-16-9-7-14/h11H,5-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-morpholin-4-ylheptan-4-one?
2,5-dimethyl-5-morpholin-4-ylheptan-4-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-morpholin-4-ylheptan-4-one is sourced from PubChem (CID 79065685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).