N-(2-aminoethyl)-N-methylcyclopentanamine

• ChemBase ID: 270905
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N(C1CCCC1)(CCN)C
• Canonical SMILES: NCCN(C1CCCC1)C
• InChI: InChI=1S/C8H18N2/c1-10(7-6-9)8-4-2-3-5-8/h8H,2-7,9H2,1H3
• InChIKey: YUGHUGYCOBWRDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-methylcyclopentanamine
• IUPAC Traditional name: N-(2-aminoethyl)-N-methylcyclopentanamine
• Synonyms: N-(2-aminoethyl)-N-methylcyclopentanamine

Database IDs

• MDL Number: MFCD09754454
• PubChem SID: 164326815
• PubChem CID: 23633127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0705438
• LogD (pH = 7.4): -1.9015659
• Log P: 0.74788755
• Molar Refractivity: 44.3511 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.149

Product Information

• Purity: 95%