2-{8,8-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}ethan-1-amine dihydrochloride

• ChemBase ID: 183236
• Molecular Formular: C13H28Cl2N2O
• Molecular Mass: 299.28022
• Monoisotopic Mass: 298.15786889
• SMILES: N1(CC2(CC(OCC2)(C)C)CCC1)CCN.Cl.Cl
• Canonical SMILES: NCCN1CCCC2(C1)CCOC(C2)(C)C.Cl.Cl
• InChI: InChI=1S/C13H26N2O.2ClH/c1-12(2)10-13(5-9-16-12)4-3-7-15(11-13)8-6-14;;/h3-11,14H2,1-2H3;2*1H
• InChIKey: PXELUDBDUILFAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8,8-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-{8,8-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}ethanamine dihydrochloride

Database IDs

• PubChem SID: 164239146
• PubChem CID: 52993296

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8972292
• LogD (pH = 7.4): -1.5993673
• Log P: 0.8611608
• Molar Refractivity: 67.5559 cm^3
• Polarizability: 26.967915 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds