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

• ChemBase ID: 55028
• Molecular Formular: C10H22BrN
• Molecular Mass: 236.19238
• Monoisotopic Mass: 235.09356171
• SMILES: N(C(CC1CCCCC1)C)C.Br
• Canonical SMILES: CNC(CC1CCCCC1)C.Br
• InChI: InChI=1S/C10H21N.BrH/c1-9(11-2)8-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: QGGOTFWTWOUYON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexylpropan-2-yl)(methyl)amine hydrobromide
• IUPAC Traditional name: propylhexedrine hydrobromide
• Synonyms: (2-Cyclohexyl-1-methylethyl)methylamine hydrobromide

Database IDs

• CAS Number: 101-40-6
• MDL Number: MFCD19442222
• PubChem SID: 162059791
• PubChem CID: 46786057

CALCULATED PROPERTIES

• 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

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false