(1-cyclohexylpropan-2-yl)(methyl)amine

• ChemBase ID: 4451
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: CC(CC1CCCCC1)NC
• Canonical SMILES: CNC(CC1CCCCC1)C
• InChI: InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
• InChIKey: JCRIVQIOJSSCQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylpropan-2-yl)(methyl)amine
• IUPAC Traditional name: dristan; propylhexedrine
• Brand Name: Benzedrex; Dristan; Obesin
• Synonyms: Propylhexedrine; (2-cyclohexyl-1-methylethyl)methylamine; Hexahydrodesoxyephedrine; Hexahydromethamphetamine; Dimethylcyclohexaneethanamine; Cycohexylisopropylmethylamine

Database IDs

• CAS Number: 101-40-6; 3595-11-7
• MDL Number: MFCD00013766
• PubChem SID: 160967883; 99443266
• PubChem CID: 7558
• Chemspider ID: 7277
• DrugBank ID: DB06714
• KEGG ID: D05637
• Unique Ingredient Identifier: LQU92IU8LL
• Wikipedia Title: Propylhexedrine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53163725
• LogD (pH = 7.4): -0.22243364
• Log P: 2.7045949
• Molar Refractivity: 49.5352 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 3.37
• LOG S: -3.23
• Solubility (Water): 9.04e-02 g/l

PROPERTIES

Pharmacology Properties

• Admin Routes: Medical: Intranasal (inhaler) and oral.; Recreational: Oral and parenteral routes.
• Legal Status: Unscheduled (US Federal); Schedule varies (US States); Schedule V (Canada Exempted from the application of the CDSA
• Pregnancy Category: C

DETAILS

DrugBank - DB06714

• Drug Groups: approved
• Description: Propylhexedrine is an alpha-adrenergic agonist often used in nasal decongestant inhalers.. It is used to give temporary relief for nasal congestion from colds, allergic rhinitis, or allergies.
• Indication: It is used to provide temporary symptomatic relief of nasal congestion due to colds, allergies and allergic rhinitis.
• Pharmacology: Like other monoamine releasing stimulants propylhexedrine is active as a norepinephrine and dopamine releaser in the central nervous system. The acute effects of the drug closely resemble the physiological and psychological effects of an epinephrine-provoked fight-or-flight response, including increased heart rate and blood pressure, vasoconstriction (constriction of the arterial walls), bronchodilation, and hyperglycemia (increased blood sugar).
• Toxicity: The signs and symptoms that are produced after the acute overdosage of Propylhexidrine include Psychosis, Burning sensation.
• External Links: Wikipedia