1-[(1R,6R)-tricyclo[4.3.1.03,8]decan-7-yl]ethan-1-amine hydrochloride

• ChemBase ID: 120350
• Molecular Formular: C12H22ClN
• Molecular Mass: 215.76278
• Monoisotopic Mass: 215.14407739
• SMILES: C12C([C@@H]3C[C@H](C2)CC1CC3)C(N)C.Cl
• Canonical SMILES: CC(C1[C@H]2CCC3C1C[C@@H](C2)C3)N.Cl
• InChI: InChI=1S/C12H21N.ClH/c1-7(13)12-10-3-2-9-4-8(5-10)6-11(9)12;/h7-12H,2-6,13H2,1H3;1H/t7?,8-,9?,10-,11?,12?;/m1./s1
• InChIKey: KPWRIRGYZPMSLD-DTHJTBSSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1R,6R)-tricyclo[4.3.1.0^3,^8]decan-7-yl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-[(1R,6R)-tricyclo[4.3.1.0^3,^8]decan-7-yl]ethanamine hydrochloride
• Synonyms: 1-((2R,5R)-octahydro-1H-2,5-methanoinden-4-yl)ethanamine hydrochloride

Database IDs

• PubChem SID: 162214703
• PubChem CID: 51051836

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.90172875
• LogD (pH = 7.4): -0.6090373
• Log P: 2.126024
• Molar Refractivity: 54.6726 cm^3
• Polarizability: 22.19729 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl