Adamantane-2-carbonitrile

C₁₁H₁₅NCAS 35856-00-9161.25 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₁H₁₅N
Molar mass: 161.25 g/mol
Exact mass: 161.1204 Da
logP: 2.58Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35856-00-9

SMILES

C1C2CC3CC1CC(C2)C3C#N

InChIKey

KHCMWKSXPURXRL-UHFFFAOYSA-N

InChI

InChI=1S/C11H15N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-5H2

Weigh it out

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

Names and synonyms

4 names

2-Adamantanecarbonitrile
Tricyclo[3.3.1.13,7]decane-2-carbonitrile
2-Cyanoadamantane
(1r,3r,5r,7r)-Adamantane-2-carbonitrile

Reactions

2-ADAMANTANECARBONITRILE (Tricyclo[3.3.1.13,7]decane-2-carbonitrile)product

Work with Adamantane-2-carbonitrile

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

Adamantane281-23-235 % similar 2-Adamantanol700-57-235 % similar 2-Bromoadamantane7314-85-435 % similar 2-Chloroadamantane7346-41-035 % similar Cyclopropyl cyanide5500-21-032 % similar 2-Aminoadamantane hydrochloride10523-68-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Methylphenyl)pyrrolidine129540-23-4 (Dimethylaminomethyl)styrene2245-52-5 1-Cyanoadamantane23074-42-2 2-Phenylpiperidine3466-80-6 3-Phenylpiperidine3973-62-4 N-Phenylpiperidine4096-20-2 4-Phenylpiperidine771-99-3

Elsewhere

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