1-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine dihydrochloride

• ChemBase ID: 263033
• Molecular Formular: C10H20Cl2N4O
• Molecular Mass: 283.198
• Monoisotopic Mass: 282.10141664
• SMILES: n1c(noc1CN(C)C)C1(N)CCCC1.Cl.Cl
• Canonical SMILES: CN(Cc1onc(n1)C1(N)CCCC1)C.Cl.Cl
• InChI: InChI=1S/C10H18N4O.2ClH/c1-14(2)7-8-12-9(13-15-8)10(11)5-3-4-6-10;;/h3-7,11H2,1-2H3;2*1H
• InChIKey: KRRGZMMMZGYXHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine dihydrochloride
• IUPAC Traditional name: 1-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine dihydrochloride
• Synonyms: 1-{5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD18917234
• PubChem SID: 164318943
• PubChem CID: 54592519

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7263324
• LogD (pH = 7.4): -2.057693E-4
• Log P: 0.8039315
• Molar Refractivity: 58.9809 cm^3
• Polarizability: 22.498562 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.258

Product Information

• Purity: 95%