(1R,2S)-2-(methoxymethyl)cyclopentan-1-amine

• ChemBase ID: 307443
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: [C@H]1([C@H](N)CCC1)COC
• Canonical SMILES: COC[C@H]1CCC[C@H]1N
• InChI: InChI=1S/C7H15NO/c1-9-5-6-3-2-4-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1
• InChIKey: VZBHNURRLOHCAS-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-(methoxymethyl)cyclopentan-1-amine
• IUPAC Traditional name: (1R,2S)-2-(methoxymethyl)cyclopentan-1-amine
• Synonyms: cis-2-(methoxymethyl)cyclopentanamine

Database IDs

• CAS Number: 956722-42-2
• MDL Number: MFCD10686548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6853628
• LogD (pH = 7.4): -2.3860445
• Log P: 0.34222046
• Molar Refractivity: 37.3847 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2