1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine

• ChemBase ID: 308323
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: C1(N(CC)C)(CN)CCCC1
• Canonical SMILES: CCN(C1(CN)CCCC1)C
• InChI: InChI=1S/C9H20N2/c1-3-11(2)9(8-10)6-4-5-7-9/h3-8,10H2,1-2H3
• InChIKey: MQKVDGKMEDIBFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)-N-ethyl-N-methylcyclopentan-1-amine
• Synonyms: 1-(aminomethyl)-N-ethyl-N-methylcyclopentanamine

Database IDs

• CAS Number: 1094891-06-1
• MDL Number: MFCD11053955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9249241
• LogD (pH = 7.4): -1.8406464
• Log P: 1.0284642
• Molar Refractivity: 48.9893 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2