[1-(2-methoxyethyl)cyclopropyl]methanamine

• ChemBase ID: 240690
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CC1)(CN)CCOC
• Canonical SMILES: NCC1(CCOC)CC1
• InChI: InChI=1S/C7H15NO/c1-9-5-4-7(6-8)2-3-7/h2-6,8H2,1H3
• InChIKey: KVVDXAXWEQPPIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21669810
• PubChem SID: 164296600
• PubChem CID: 66024630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8308218
• LogD (pH = 7.4): -2.2073762
• Log P: 0.18413581
• Molar Refractivity: 37.5398 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.086

Product Information

• Purity: 95%