1,3,5-Trimethyladamantane

C₁₃H₂₂CAS 707-35-7178.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₂
Molar mass: 178.32 g/mol
Exact mass: 178.1722 Da
Boiling point: 88–89.5 °C (at 19 Torr)
logP: 4.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

707-35-7

SMILES

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

InChIKey

WCACLGXPFTYVEL-UHFFFAOYSA-N

InChI

InChI=1S/C13H22/c1-11-4-10-5-12(2,7-11)9-13(3,6-10)8-11/h10H,4-9H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

Tricyclo[3.3.1.13,7]decane, 1,3,5-trimethyl-
Adamantane, 1,3,5-trimethyl-
1,3,5-Trimethyltricyclo[3.3.1.13,7]decane

Work with 1,3,5-Trimethyladamantane

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

Memantine19982-08-267 % similar 1,3-Dimethyladamantane702-79-467 % similar 1-Chloro-3,5-dimethyladamantane707-36-867 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-967 % similar 1-Bromo-3,5-dimethyladamantane941-37-767 % similar Memantine hydrochloride41100-52-158 % similar N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide351329-88-952 % similar 1-Acetamido-3,5-dimethyladamantane19982-07-150 % similar

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

Elsewhere

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