N-(3-aminopropyl)-N-methylcyclopentanamine

• ChemBase ID: 30900
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N(C1CCCC1)(CCCN)C
• Canonical SMILES: NCCCN(C1CCCC1)C
• InChI: InChI=1S/C9H20N2/c1-11(8-4-7-10)9-5-2-3-6-9/h9H,2-8,10H2,1H3
• InChIKey: UZUGLJYLQAJFML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-N-methylcyclopentanamine
• IUPAC Traditional name: N-(3-aminopropyl)-N-methylcyclopentanamine
• Synonyms: N*1*-Cyclopentyl-N*1*-methyl-propane-1,3-diamine; N-cyclopentyl-N-methylpropane-1,3-diamine

Database IDs

• CAS Number: 53485-06-6
• MDL Number: MFCD09055329
• PubChem SID: 160994207
• PubChem CID: 25775408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0748367
• LogD (pH = 7.4): -3.0586853
• Log P: 0.80784726
• Molar Refractivity: 49.2165 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false