[2-(cyclopentylamino)ethyl]dimethylamine dihydrochloride

• ChemBase ID: 122607
• Molecular Formular: C9H22Cl2N2
• Molecular Mass: 229.19038
• Monoisotopic Mass: 228.11600407
• SMILES: N(CCN(C)C)C1CCCC1.Cl.Cl
• Canonical SMILES: CN(CCNC1CCCC1)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-11(2)8-7-10-9-5-3-4-6-9;;/h9-10H,3-8H2,1-2H3;2*1H
• InChIKey: MIIPBGXDJCPFCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopentylamino)ethyl]dimethylamine dihydrochloride
• IUPAC Traditional name: [2-(cyclopentylamino)ethyl]dimethylamine dihydrochloride
• Synonyms: N1-cyclopentyl-N2,N2-dimethylethane-1,2-diamine dihydrochloride

Database IDs

• PubChem SID: 162216960
• PubChem CID: 24278909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1513686
• LogD (pH = 7.4): -1.615551
• Log P: 1.180468
• Molar Refractivity: 49.1257 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl