N-(1-Adamantyl)ethylenediamine

C₁₂H₂₂N₂CAS 37818-93-2194.32 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₂H₂₂N₂
Molar mass: 194.32 g/mol
Exact mass: 194.1783 Da
logP: 1.50Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

37818-93-2

SMILES

C1C2CC3CC1CC(C2)(C3)NCCN

InChIKey

IQMUFNISQFPZJC-UHFFFAOYSA-N

InChI

InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2

Weigh it out

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Work with N-(1-Adamantyl)ethylenediamine

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

Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-137 % similar Amantadine768-94-535 % similar Diethylenetriamine111-40-033 % similar Triethylenetetramine112-24-332 % similar Tetraethylenepentamine112-57-232 % similar Pentaethylenehexamine4067-16-732 % similar 1-(1-Adamantyl)piperazine19984-46-431 % similar N-Isopropylethylenediamine19522-67-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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