3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione

C12H21NO2 — CID 15555654

IUPAC3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione
SMILESCNCC1CC(=O)CC(C)(C)CC(=O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)6-10(14)4-9(8-13-3)5-11(15)7-12/h9,13H,4-8H2,1-3H3
InChIKeyUIGBUFXCVNMBNT-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.56
Rot. Bonds2

About 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione

3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione (PubChem CID 15555654) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione
PubChem CID15555654
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione
SMILESCNCC1CC(=O)CC(C)(C)CC(=O)C1
InChIInChI=1S/C12H21NO2/c1-12(2)6-10(14)4-9(8-13-3)5-11(15)7-12/h9,13H,4-8H2,1-3H3
InChIKeyUIGBUFXCVNMBNT-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione?
The IUPAC name of 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione (CID 15555654) is 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione.
What is the SMILES notation for 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione?
The canonical SMILES for 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione is CNCC1CC(=O)CC(C)(C)CC(=O)C1.
What is the InChIKey of 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione?
The InChIKey is UIGBUFXCVNMBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)6-10(14)4-9(8-13-3)5-11(15)7-12/h9,13H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione?
3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione has a molecular weight of 211.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-(methylaminomethyl)cyclooctane-1,5-dione is sourced from PubChem (CID 15555654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).