Adamantane-2-carbonitrile

C₁₁H₁₅NCAS 35856-00-9161.25 g/mol

Open in Covalent MOL file

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

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

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

2-Adamantanol700-57-235 % similar 2-Bromoadamantane7314-85-435 % similar 2-Chloroadamantane7346-41-035 % similar Cyclopropyl cyanide5500-21-032 % similar

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

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook