2-cyclopentyl-2-methylpropan-1-amine

• ChemBase ID: 242715
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C(C1CCCC1)(CN)(C)C
• Canonical SMILES: NCC(C1CCCC1)(C)C
• InChI: InChI=1S/C9H19N/c1-9(2,7-10)8-5-3-4-6-8/h8H,3-7,10H2,1-2H3
• InChIKey: HCLNKNRCOIAGNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-2-methylpropan-1-amine
• IUPAC Traditional name: 2-cyclopentyl-2-methylpropan-1-amine
• Synonyms: 2-cyclopentyl-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD22578504
• PubChem SID: 164298625
• PubChem CID: 24837243

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8615482
• LogD (pH = 7.4): -0.24591318
• Log P: 2.1538444
• Molar Refractivity: 44.6105 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.754

Product Information

• Purity: 95%