1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

C13H24N2O — CID 949443

IUPAC1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCCCC12CNCC(CCC)(CNC1)C2=O
InChIInChI=1S/C13H24N2O/c1-3-5-12-7-14-9-13(6-4-2,11(12)16)10-15-8-12/h14-15H,3-10H2,1-2H3
InChIKeyZGBNJTORAPCVCQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.33
Rot. Bonds4

About 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one (PubChem CID 949443) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
PubChem CID949443
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SMILESCCCC12CNCC(CCC)(CNC1)C2=O
InChIInChI=1S/C13H24N2O/c1-3-5-12-7-14-9-13(6-4-2,11(12)16)10-15-8-12/h14-15H,3-10H2,1-2H3
InChIKeyZGBNJTORAPCVCQ-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-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 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one (CID 949443) is 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one is CCCC12CNCC(CCC)(CNC1)C2=O.
What is the InChIKey of 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
The InChIKey is ZGBNJTORAPCVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-12-7-14-9-13(6-4-2,11(12)16)10-15-8-12/h14-15H,3-10H2,1-2H3.
What are the key properties of 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one?
1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one has a molecular weight of 224.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 949443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).