2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one

C11H23NO — CID 21338896

IUPAC2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one
SMILESCNCC(C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)9(13)7-11(4,5)8-12-6/h12H,7-8H2,1-6H3
InChIKeyOKMKAVQTZABQNJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.24
Rot. Bonds4

About 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one

2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one (PubChem CID 21338896) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one
PubChem CID21338896
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one
SMILESCNCC(C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)9(13)7-11(4,5)8-12-6/h12H,7-8H2,1-6H3
InChIKeyOKMKAVQTZABQNJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one (CID 21338896) is 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one is CNCC(C)(C)CC(=O)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one?
The InChIKey is OKMKAVQTZABQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)9(13)7-11(4,5)8-12-6/h12H,7-8H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one?
2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-6-(methylamino)hexan-3-one is sourced from PubChem (CID 21338896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).