(1-cyclopentylpropan-2-yl)(methyl)amine hydrochloride

• ChemBase ID: 165234
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: C1CC(CC1)CC(NC)C.Cl
• Canonical SMILES: CNC(CC1CCCC1)C.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-8(10-2)7-9-5-3-4-6-9;/h8-10H,3-7H2,1-2H3;1H
• InChIKey: XGZPRABQSGUFBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopentylpropan-2-yl)(methyl)amine hydrochloride
• IUPAC Traditional name: sinos hydrochloride
• Synonyms: N,α-Dimethylcyclopentaneethanamine Hydrochloride; N,α-Dimethylcyclopentaneethylamine Hydrochloride; Clopane Hydrochloride; Cyclonarol Hydrochloride; Cyclopentadrin Hydrochloride; Cyclopentadrine Hydrochloride; Cyclopentamin Hydrochloride; Cyklosal Hydrochloride; Cyklosan Hydrochloride; Sinos Hydrochloride; Cyclopentamine Hydrochloride

Database IDs

• CAS Number: 538-02-3
• PubChem SID: 162259367
• PubChem CID: 92798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.97620595
• LogD (pH = 7.4): -0.6670023
• Log P: 2.260026
• Molar Refractivity: 44.9342 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C988355

Cyclopentamine is a sympathomimetic alkylamine. Cyclopentamine is a vasoconstrictor that acts as a releasing agent of the neurotransmitters norepinephrine, epinephrine and dopamine.

REFERENCES

• Schmidt, J.L. et al.: J. Pharmacol. Exp. Ther., 145, 83 (1964)
• Iversen, L.L.: J. Pharm. Pharmacol., 16, 435 (1964)