1-(dibromomethyl)adamantane

C11H16Br2 — CID 5097505

IUPAC1-(dibromomethyl)adamantane
SMILESBrC(Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16Br2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2
InChIKeyFIMUBZRKVRSPQG-UHFFFAOYSA-N
MW308.06 g/mol
LogP4.32
Rot. Bonds1

About 1-(dibromomethyl)adamantane

1-(dibromomethyl)adamantane (PubChem CID 5097505) has the molecular formula C11H16Br2 and a molecular weight of 308.06 g/mol. Its IUPAC name is 1-(dibromomethyl)adamantane.

Molecular Properties

Compound Name1-(dibromomethyl)adamantane
PubChem CID5097505
Molecular FormulaC11H16Br2
Molecular Weight308.06 g/mol
Exact Mass305.96
IUPAC Name1-(dibromomethyl)adamantane
SMILESBrC(Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16Br2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2
InChIKeyFIMUBZRKVRSPQG-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(dibromomethyl)adamantane 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-(dibromomethyl)adamantane?
The IUPAC name of 1-(dibromomethyl)adamantane (CID 5097505) is 1-(dibromomethyl)adamantane.
What is the SMILES notation for 1-(dibromomethyl)adamantane?
The canonical SMILES for 1-(dibromomethyl)adamantane is BrC(Br)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(dibromomethyl)adamantane?
The InChIKey is FIMUBZRKVRSPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2.
What are the key properties of 1-(dibromomethyl)adamantane?
1-(dibromomethyl)adamantane has a molecular weight of 308.06 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)adamantane is sourced from PubChem (CID 5097505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).