3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane

C9H12Br3N — CID 535493

IUPAC3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane
SMILESBrC12CN3CC(Br)(C1)CC(Br)(C3)C2
InChIInChI=1S/C9H12Br3N/c10-7-1-8(11)3-9(12,2-7)6-13(4-7)5-8/h1-6H2
InChIKeyGHJYRZFZOJQXND-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.90
Rot. Bonds

About 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane

3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 535493) has the molecular formula C9H12Br3N and a molecular weight of 373.91 g/mol. Its IUPAC name is 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane
PubChem CID535493
Molecular FormulaC9H12Br3N
Molecular Weight373.91 g/mol
Exact Mass370.85
IUPAC Name3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane
SMILESBrC12CN3CC(Br)(C1)CC(Br)(C3)C2
InChIInChI=1S/C9H12Br3N/c10-7-1-8(11)3-9(12,2-7)6-13(4-7)5-8/h1-6H2
InChIKeyGHJYRZFZOJQXND-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane 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 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane (CID 535493) is 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane is BrC12CN3CC(Br)(C1)CC(Br)(C3)C2.
What is the InChIKey of 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is GHJYRZFZOJQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br3N/c10-7-1-8(11)3-9(12,2-7)6-13(4-7)5-8/h1-6H2.
What are the key properties of 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane?
3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 373.91 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-tribromo-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).