CAS 1501-84-4|CAS 13392-28-4|rimantadine hydrochloride|[1-(1-Adamantyl)ethyl]amine hydrochloride|1-(adamantan-1-yl)ethan-1-amine hydrochloride|Rimantadine hydrochloride|1-(1-adamantyl)ethylamine hyd...

General Information

Structure

Molecular Formula

C₁₂H₂₂ClN

Molecular Mass

215.76278

Exact Mass

215.14407739

Charge

InChI

InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H

InChIKey

OZBDFBJXRJWNAV-UHFFFAOYSA-N

Canonic Smiles

CC(C12CC3CC(C2)CC(C1)C3)N.Cl

Isomeric Smiles

C1C2CC3(CC1CC(C2)C3)C(C)N.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.8055685

LogD (pH = 7.4)

-0.34652156

Log P

2.2170057

Molar Refractivity

54.5221

Polarizability

22.19729

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

[1-(1-Adamantyl)ethyl]amine hydrochlorideRimantadine hydrochloride1-(1-Aminoethyl)adamantane hydrochloride1-(1-adamantyl)ethylamine hydrochloride1-(Adamantan-1-yl)ethylamine hydrochloride1-(1-adamantyl)ethanamine hydrochlorideMeradaneRimantadine HydrochlorideRoflualFlumadineα-Methyltricyclo[3.3.1.13,7]decane-1-methanamine Hydrochloride1-((3r,5r,7r)-adamantan-1-yl)ethanamine hydrochloride

IUPAC Traditional name

rimantadine hydrochloride

IUPAC name

1-(adamantan-1-yl)ethan-1-amine hydrochloride

Names and Identifiers

Registration numbers

PubChem SID

162060150

CAS Number

1501-84-413392-28-4

PubChem CID

15165