2-(3-methylbutoxy)cyclopentan-1-amine

• ChemBase ID: 284304
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(C(OCCC(C)C)CCC1)N
• Canonical SMILES: CC(CCOC1CCCC1N)C
• InChI: InChI=1S/C10H21NO/c1-8(2)6-7-12-10-5-3-4-9(10)11/h8-10H,3-7,11H2,1-2H3
• InChIKey: ZAXGUJIXMMJHLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutoxy)cyclopentan-1-amine
• IUPAC Traditional name: 2-(3-methylbutoxy)cyclopentan-1-amine
• Synonyms: 2-(3-methylbutoxy)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD11126528
• PubChem SID: 180669835
• PubChem CID: 43184148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1005173
• LogD (pH = 7.4): -0.3815373
• Log P: 1.908384
• Molar Refractivity: 50.8669 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.157

Product Information

• Purity: 95%