1-(methoxymethyl)cyclopentan-1-amine

• ChemBase ID: 277100
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(N)(COC)CCCC1
• Canonical SMILES: COCC1(N)CCCC1
• InChI: InChI=1S/C7H15NO/c1-9-6-7(8)4-2-3-5-7/h2-6,8H2,1H3
• InChIKey: ALMYLABZOCCULD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(methoxymethyl)cyclopentan-1-amine
• Synonyms: 1-(methoxymethyl)cyclopentan-1-amine; 1-(methoxymethyl)cyclopentanamine

Database IDs

• CAS Number: 676560-74-0
• MDL Number: MFCD09971190
• PubChem SID: 164333010
• PubChem CID: 25220851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4132378
• LogD (pH = 7.4): -1.8748187
• Log P: 0.6060362
• Molar Refractivity: 37.2651 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.93

Product Information

• Purity: 95%