Adamantane-1,3-diamine

C₁₀H₁₈N₂CAS 10303-95-4166.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈N₂
Molar mass: 166.27 g/mol
Exact mass: 166.1470 Da
logP: 1.00Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

10303-95-4

SMILES

NC12CC3CC(C1)CC(N)(C3)C2

InChIKey

FOLJMFFBEKONJP-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2

Weigh it out

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

Names and synonyms

3 names

1,3-Diaminoadamantane
Tricyclo[3.3.1.13,7]decane-1,3-diamine
1,3-Adamantanediamine

Work with Adamantane-1,3-diamine

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

Amantadine768-94-571 % similar 3-Amino-1-adamantanol702-82-964 % similar Amantadine hydrochloride665-66-760 % similar Bicyclo(1.1.1)pentan-1-amine177287-49-959 % similar Bicyclo[1.1.1]pentan-3-amine,hydrochloride22287-35-050 % similar Amantadine sulfate31377-23-846 % similar Memantine19982-08-244 % similar 1,3-Dibromoadamantane876-53-943 % similar

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

Elsewhere

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