5,6-dimethyl-7-(methylamino)octane-2,3-dione

C11H21NO2 — CID 20644971

IUPAC5,6-dimethyl-7-(methylamino)octane-2,3-dione
SMILESCNC(C)C(C)C(C)CC(=O)C(C)=O
InChIInChI=1S/C11H21NO2/c1-7(6-11(14)10(4)13)8(2)9(3)12-5/h7-9,12H,6H2,1-5H3
InChIKeyLHBDQWJLPPAQMO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds6

About 5,6-dimethyl-7-(methylamino)octane-2,3-dione

5,6-dimethyl-7-(methylamino)octane-2,3-dione (PubChem CID 20644971) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5,6-dimethyl-7-(methylamino)octane-2,3-dione.

Molecular Properties

Compound Name5,6-dimethyl-7-(methylamino)octane-2,3-dione
PubChem CID20644971
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5,6-dimethyl-7-(methylamino)octane-2,3-dione
SMILESCNC(C)C(C)C(C)CC(=O)C(C)=O
InChIInChI=1S/C11H21NO2/c1-7(6-11(14)10(4)13)8(2)9(3)12-5/h7-9,12H,6H2,1-5H3
InChIKeyLHBDQWJLPPAQMO-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(methylamino)octane-2,3-dione?
The IUPAC name of 5,6-dimethyl-7-(methylamino)octane-2,3-dione (CID 20644971) is 5,6-dimethyl-7-(methylamino)octane-2,3-dione.
What is the SMILES notation for 5,6-dimethyl-7-(methylamino)octane-2,3-dione?
The canonical SMILES for 5,6-dimethyl-7-(methylamino)octane-2,3-dione is CNC(C)C(C)C(C)CC(=O)C(C)=O.
What is the InChIKey of 5,6-dimethyl-7-(methylamino)octane-2,3-dione?
The InChIKey is LHBDQWJLPPAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(6-11(14)10(4)13)8(2)9(3)12-5/h7-9,12H,6H2,1-5H3.
What are the key properties of 5,6-dimethyl-7-(methylamino)octane-2,3-dione?
5,6-dimethyl-7-(methylamino)octane-2,3-dione has a molecular weight of 199.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(methylamino)octane-2,3-dione is sourced from PubChem (CID 20644971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).