Amantadine

C₁₀H₁₇NCAS 768-94-5151.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₇N
Molar mass: 151.25 g/mol
Exact mass: 151.1361 Da
Melting point: 180 °C
pKa: 10.58
logP: 1.91Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage68.6% of notifiers
H315 Causes skin irritation31.4% of notifiers
H318 Causes serious eye damage68.6% of notifiers
H319 Causes serious eye irritation31.4% of notifiers
H335 May cause respiratory irritation32.1% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child67.9% of notifiers
H412 Harmful to aquatic life with long lasting effects68.6% of notifiers

Aggregated from 156 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

768-94-5

SMILES

NC12CC3CC(CC(C3)C1)C2

InChIKey

DKNWSYNQZKUICI-UHFFFAOYSA-N

InChI

InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

Weigh it out

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

Names and synonyms

12 names

Tricyclo[3.3.1.13,7]decan-1-amine
1-Adamantanamine
1-Aminoadamantane
1-Adamantamine
Adamantylamine
1-Adamantylamine
1-Amantadine
Adamantamine
Adamantanamine
NSC 341865
Tricyclo[3.3.1.13,7]decane-1-amine
(Adamantan-1-yl)amine

Work with Amantadine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Amantadine hydrochloride665-66-7Salt Amantadine sulfate31377-23-8Salt

Similar compounds

Bicyclo(1.1.1)pentan-1-amine177287-49-973 % similar Adamantane-1,3-diamine10303-95-471 % similar Bicyclo[1.1.1]pentan-3-amine,hydrochloride22287-35-061 % similar 3-Amino-1-adamantanol702-82-952 % similar Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-143 % similar Di-1-adamantylphosphine131211-27-340 % similar Memantine19982-08-240 % similar 1-Adamantylthiol34301-54-740 % similar

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

Same formula

1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-1 3-tert-Butyl-2,4-dimethyl-1H-pyrrole151464-91-4 Citronellyl nitrile51566-62-2 (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook