3-ethoxyspiro[3.3]heptan-1-amine

• ChemBase ID: 279221
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C12(C(CC1OCC)N)CCC2
• Canonical SMILES: CCOC1CC(C21CCC2)N
• InChI: InChI=1S/C9H17NO/c1-2-11-8-6-7(10)9(8)4-3-5-9/h7-8H,2-6,10H2,1H3
• InChIKey: VLMVTXSEXUNQGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.3]heptan-1-amine
• IUPAC Traditional name: 3-ethoxyspiro[3.3]heptan-1-amine
• Synonyms: 3-ethoxyspiro[3.3]heptan-1-amine

Database IDs

• MDL Number: MFCD20233629
• PubChem SID: 164335131
• PubChem CID: 54595200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3057845
• LogD (pH = 7.4): -1.6114697
• Log P: 0.70482016
• Molar Refractivity: 44.3712 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.484

Product Information

• Purity: 95%