1,4-dibromoadamantane

C10H14Br2 — CID 4533350

IUPAC1,4-dibromoadamantane
SMILESBrC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2
InChIKeyBPJZBMGMBABTDL-UHFFFAOYSA-N
MW294.03 g/mol
LogP3.72
Rot. Bonds

About 1,4-dibromoadamantane

1,4-dibromoadamantane (PubChem CID 4533350) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is 1,4-dibromoadamantane.

Molecular Properties

Compound Name1,4-dibromoadamantane
PubChem CID4533350
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name1,4-dibromoadamantane
SMILESBrC1C2CC3CC1CC(Br)(C3)C2
InChIInChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2
InChIKeyBPJZBMGMBABTDL-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dibromoadamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromoadamantan-2-ol
CID 12660030
(5S,7R)-2-bromo-1-(bromomethyl)adamantane
CID 11174290
1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione
CID 156785098
(5S,7R)-3-bromoadamantan-1-amine
CID 97466147
1,3-dibromo-5-(3,5-dibromo-1-adamantyl)adamantane
CID 15650121
1,3-bis(1-adamantyl)adamantane;1,3-dibromo-5-[3-(3-bromo-1-adamantyl)-1-adamantyl]adamantane;methane
CID 157458971
(2'R,3R,3'S,5S)-1-bromospiro[adamantane-4,4'-oxetane]-2',3'-dicarbonitrile
CID 14223768
2-[(1S,3R)-5-bromo-2-ethyl-2-adamantyl]propanedinitrile
CID 10686143
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
2-azatetracyclo[4.3.1.11,4.03,8]undecane
CID 153363220
5-[(1R,3S)-5-bromo-2-adamantylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 73212953
(5R,7R)-N-(1-adamantylmethyl)-3-bromoadamantane-1-carboxamide
CID 98385845

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromoadamantane?
The IUPAC name of 1,4-dibromoadamantane (CID 4533350) is 1,4-dibromoadamantane.
What is the SMILES notation for 1,4-dibromoadamantane?
The canonical SMILES for 1,4-dibromoadamantane is BrC1C2CC3CC1CC(Br)(C3)C2.
What is the InChIKey of 1,4-dibromoadamantane?
The InChIKey is BPJZBMGMBABTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2.
What are the key properties of 1,4-dibromoadamantane?
1,4-dibromoadamantane has a molecular weight of 294.03 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromoadamantane is sourced from PubChem (CID 4533350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).