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

C9H19NO — CID 169146775

IUPAC3,5-dimethyl-6-(methylamino)hexan-2-one
SMILESCNCC(C)CC(C)C(C)=O
InChIInChI=1S/C9H19NO/c1-7(6-10-4)5-8(2)9(3)11/h7-8,10H,5-6H2,1-4H3
InChIKeyDRYAFGBWGUUMBY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.46
Rot. Bonds5

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

3,5-dimethyl-6-(methylamino)hexan-2-one (PubChem CID 169146775) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,5-dimethyl-6-(methylamino)hexan-2-one.

Molecular Properties

Compound Name3,5-dimethyl-6-(methylamino)hexan-2-one
PubChem CID169146775
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3,5-dimethyl-6-(methylamino)hexan-2-one
SMILESCNCC(C)CC(C)C(C)=O
InChIInChI=1S/C9H19NO/c1-7(6-10-4)5-8(2)9(3)11/h7-8,10H,5-6H2,1-4H3
InChIKeyDRYAFGBWGUUMBY-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-(methylamino)hexan-2-one?
The IUPAC name of 3,5-dimethyl-6-(methylamino)hexan-2-one (CID 169146775) is 3,5-dimethyl-6-(methylamino)hexan-2-one.
What is the SMILES notation for 3,5-dimethyl-6-(methylamino)hexan-2-one?
The canonical SMILES for 3,5-dimethyl-6-(methylamino)hexan-2-one is CNCC(C)CC(C)C(C)=O.
What is the InChIKey of 3,5-dimethyl-6-(methylamino)hexan-2-one?
The InChIKey is DRYAFGBWGUUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(6-10-4)5-8(2)9(3)11/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethyl-6-(methylamino)hexan-2-one?
3,5-dimethyl-6-(methylamino)hexan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-(methylamino)hexan-2-one is sourced from PubChem (CID 169146775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).