1-(methoxymethyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 38156
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1CCC(C1)(COC)N.Cl
• Canonical SMILES: COCC1(N)CCCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-9-6-7(8)4-2-3-5-7;/h2-6,8H2,1H3;1H
• InChIKey: ZWKWORCOCGGZHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 1-(methoxymethyl)cyclopentan-1-amine hydrochloride
• Synonyms: [1-(Methoxymethyl)cyclopentyl]amine hydrochloride

Database IDs

• CAS Number: 944146-30-9
• MDL Number: MFCD09864357
• PubChem SID: 161001463
• PubChem CID: 46737076

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false