1-Bromo-3,5-dimethyladamantane

C₁₂H₁₉BrCAS 941-37-7243.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₉Br
Molar mass: 243.19 g/mol
Exact mass: 242.0670 Da
Boiling point: 67–69 °C (at 0.03 Torr)
logP: 4.13Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

941-37-7

SMILES

CC12CC3CC(C)(C1)CC(Br)(C3)C2

InChIKey

QUCXLVDIVQWYJR-UHFFFAOYSA-N

InChI

InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Tricyclo[3.3.1.13,7]decane, 1-bromo-3,5-dimethyl-
Adamantane, 1-bromo-3,5-dimethyl-
1-Bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane
3,5-Dimethyl-1-bromoadamantane
1,3-Dimethyl-5-bromoadamantane
NSC 102293

Work with 1-Bromo-3,5-dimethyladamantane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Trimethyladamantane707-35-767 % similar Memantine19982-08-250 % similar 1-Chloro-3,5-dimethyladamantane707-36-850 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-950 % similar 1,3-Dimethyladamantane702-79-448 % similar Memantine hydrochloride41100-52-145 % similar N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide351329-88-941 % similar 1-Acetamido-3,5-dimethyladamantane19982-07-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook