tricyclo[4.3.1.1^{3,8}]undecan-3-amine hydrochloride

• ChemBase ID: 35814
• Molecular Formular: C11H20ClN
• Molecular Mass: 201.7362
• Monoisotopic Mass: 201.12842733
• SMILES: C12CC3CC(C1)(CCC(C3)C2)N.Cl
• Canonical SMILES: NC12CCC3CC(C1)CC(C2)C3.Cl
• InChI: InChI=1S/C11H19N.ClH/c12-11-2-1-8-3-9(6-11)5-10(4-8)7-11;/h8-10H,1-7,12H2;1H
• InChIKey: QFXNEFBTIHXVEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[4.3.1.1^{3,8}]undecan-3-amine hydrochloride
• IUPAC Traditional name: tricyclo[4.3.1.1^{3,8}]undecan-3-amine hydrochloride
• Synonyms: Tricyclo[4.3.1.1~3,8~]undec-3-ylamine hydrochloride

Database IDs

• MDL Number: MFCD00267989
• PubChem SID: 160999121
• PubChem CID: 22136454

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1197869
• LogD (pH = 7.4): -0.941864
• Log P: 1.9105163
• Molar Refractivity: 50.1366 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false