2-{10-oxa-4-azatricyclo[5.2.1.02,6]decan-4-yl}ethan-1-amine

• ChemBase ID: 284306
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C12C(C3OC1CC3)CN(C2)CCN
• Canonical SMILES: NCCN1CC2C(C1)C1OC2CC1
• InChI: InChI=1S/C10H18N2O/c11-3-4-12-5-7-8(6-12)10-2-1-9(7)13-10/h7-10H,1-6,11H2
• InChIKey: JYBOLLMJVUEENF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{10-oxa-4-azatricyclo[5.2.1.0^2,^6]decan-4-yl}ethan-1-amine
• IUPAC Traditional name: 2-{10-oxa-4-azatricyclo[5.2.1.0^2,^6]decan-4-yl}ethanamine
• Synonyms: 2-{10-oxa-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl}ethan-1-amine

Database IDs

• MDL Number: MFCD20502126
• PubChem SID: 180669837
• PubChem CID: 54595942

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.575313
• LogD (pH = 7.4): -3.3457646
• Log P: -0.57427984
• Molar Refractivity: 51.4532 cm^3
• Polarizability: 20.70614 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.032

Product Information

• Purity: 95%