5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one

C16H25NO — CID 116956164

IUPAC5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one
SMILESCNC(CCC(C)=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO/c1-10-9-11(2)14(5)16(13(10)4)15(17-6)8-7-12(3)18/h9,15,17H,7-8H2,1-6H3
InChIKeyOGJBWLBFOOQDNL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds5

About 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one

5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one (PubChem CID 116956164) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one
PubChem CID116956164
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one
SMILESCNC(CCC(C)=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO/c1-10-9-11(2)14(5)16(13(10)4)15(17-6)8-7-12(3)18/h9,15,17H,7-8H2,1-6H3
InChIKeyOGJBWLBFOOQDNL-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one?
The IUPAC name of 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one (CID 116956164) is 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one is CNC(CCC(C)=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one?
The InChIKey is OGJBWLBFOOQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-9-11(2)14(5)16(13(10)4)15(17-6)8-7-12(3)18/h9,15,17H,7-8H2,1-6H3.
What are the key properties of 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one?
5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one is sourced from PubChem (CID 116956164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).