(cyclopropylmethyl)(2-methoxyethyl)amine

• ChemBase ID: 29190
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CC1CNCCOC
• Canonical SMILES: COCCNCC1CC1
• InChI: InChI=1S/C7H15NO/c1-9-5-4-8-6-7-2-3-7/h7-8H,2-6H2,1H3
• InChIKey: XOMOOAMCPDDKCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(2-methoxyethyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(2-methoxyethyl)amine
• Synonyms: N-(Cyclopropylmethyl)-2-methoxy-1-ethanamine; (cyclopropylmethyl)(2-methoxyethyl)amine

Database IDs

• CAS Number: 209334-89-4
• MDL Number: MFCD10687810
• PubChem SID: 160992497
• PubChem CID: 19353678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6746316
• LogD (pH = 7.4): -1.9219962
• Log P: 0.54072326
• Molar Refractivity: 37.6789 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false