[1-(2-methoxyethyl)cyclopentyl]methanamine

• ChemBase ID: 238461
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(CN)(CCOC)CCCC1
• Canonical SMILES: NCC1(CCOC)CCCC1
• InChI: InChI=1S/C9H19NO/c1-11-7-6-9(8-10)4-2-3-5-9/h2-8,10H2,1H3
• InChIKey: ZMYGSITVGPOSKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16856090
• PubChem SID: 164294371
• PubChem CID: 62723492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9416853
• LogD (pH = 7.4): -1.3182551
• Log P: 1.0732732
• Molar Refractivity: 46.7418 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.204

Product Information

• Purity: 95%