2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C12H20N2O — CID 596440

IUPAC2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C12H20N2O/c1-10(2)13-5-11(3)6-14(10)8-12(4,7-13)9(11)15/h5-8H2,1-4H3
InChIKeyZSYSVGAURGYYKV-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds

About 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 596440) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID596440
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C12H20N2O/c1-10(2)13-5-11(3)6-14(10)8-12(4,7-13)9(11)15/h5-8H2,1-4H3
InChIKeyZSYSVGAURGYYKV-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one 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 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 596440) is 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC12CN3CC(C)(CN(C1)C3(C)C)C2=O.
What is the InChIKey of 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is ZSYSVGAURGYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)13-5-11(3)6-14(10)8-12(4,7-13)9(11)15/h5-8H2,1-4H3.
What are the key properties of 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 208.30 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 596440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).