5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C12H20N2O — CID 597301

IUPAC5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CN(CC(C)(C3)C1=O)C2
InChIInChI=1S/C12H20N2O/c1-3-4-12-7-13-5-11(2,10(12)15)6-14(8-12)9-13/h3-9H2,1-2H3
InChIKeyUITBQMZELPAEHU-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 597301) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID597301
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CN(CC(C)(C3)C1=O)C2
InChIInChI=1S/C12H20N2O/c1-3-4-12-7-13-5-11(2,10(12)15)6-14(8-12)9-13/h3-9H2,1-2H3
InChIKeyUITBQMZELPAEHU-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 5-methyl-7-propyl-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 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 597301) is 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CN(CC(C)(C3)C1=O)C2.
What is the InChIKey of 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is UITBQMZELPAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-12-7-13-5-11(2,10(12)15)6-14(8-12)9-13/h3-9H2,1-2H3.
What are the key properties of 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 208.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 597301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).