1,3-Dimethyladamantane

C₁₂H₂₀CAS 702-79-4164.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀
Molar mass: 164.29 g/mol
Exact mass: 164.1565 Da
Boiling point: 203–213 °C (at 746 Torr)
logP: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

702-79-4

SMILES

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

InChIKey

CWNOIUTVJRWADX-UHFFFAOYSA-N

InChI

InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3

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Names and synonyms

4 names

Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-
Adamantane, 1,3-dimethyl-
1,3-Dimethyltricyclo[3.3.1.13,7]decane
3,5-Dimethyladamantane

Work with 1,3-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 1-Bromo-3-methyladamantane702-77-265 % similar Memantine19982-08-254 % similar Memantine hydrochloride41100-52-148 % similar 1-Chloro-3,5-dimethyladamantane707-36-848 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-948 % similar 1-Bromo-3,5-dimethyladamantane941-37-748 % similar Adamantane-1,3-diamine10303-95-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexylidenecyclohexane4233-18-5 1-Ethyladamantane770-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook