[1-(2-methylpropyl)cyclopentyl]methanamine

• ChemBase ID: 236615
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C1(CC(C)C)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)CC(C)C
• InChI: InChI=1S/C10H21N/c1-9(2)7-10(8-11)5-3-4-6-10/h9H,3-8,11H2,1-2H3
• InChIKey: CWQQEAOREYIMFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpropyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2-methylpropyl)cyclopentyl]methanamine
• Synonyms: [1-(2-methylpropyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD16860503
• PubChem SID: 164292525
• PubChem CID: 62725687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41663772
• LogD (pH = 7.4): 0.20514762
• Log P: 2.598413
• Molar Refractivity: 49.2115 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.403

Product Information

• Purity: 95%