1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane

C10H16IN — CID 69477129

IUPAC1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane
SMILESICC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C10H16IN/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,12H,1-6H2
InChIKeyPGEWTKCHQFWQGW-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.34
Rot. Bonds1

About 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane

1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 69477129) has the molecular formula C10H16IN and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane
PubChem CID69477129
Molecular FormulaC10H16IN
Molecular Weight277.15 g/mol
Exact Mass277.03
IUPAC Name1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane
SMILESICC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C10H16IN/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,12H,1-6H2
InChIKeyPGEWTKCHQFWQGW-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(iodomethyl)-2-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 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane (CID 69477129) is 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane is ICC12CC3CC(CC(C3)N1)C2.
What is the InChIKey of 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is PGEWTKCHQFWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,12H,1-6H2.
What are the key properties of 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane?
1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 277.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 69477129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).