2-[(1R,5S)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide

• ChemBase ID: 220782
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: [C@@]12(C[C@](CN(C1)CC(=O)N)(CN(C2)C)C)C
• Canonical SMILES: CN1C[C@]2(C)CN(C[C@](C1)(C2)C)CC(=O)N
• InChI: InChI=1S/C12H23N3O/c1-11-5-12(2,7-14(3)6-11)9-15(8-11)4-10(13)16/h4-9H2,1-3H3,(H2,13,16)/t11-,12+
• InChIKey: HDKRANZDHFMISR-TXEJJXNPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1R,5S)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
• IUPAC Traditional name: 2-[(1R,5S)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide

Database IDs

• PubChem SID: 164276692
• PubChem CID: 29147015

CALCULATED PROPERTIES

• Acid pKa: 16.5576
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.156762
• LogD (pH = 7.4): -2.2275026
• Log P: -0.13669507
• Molar Refractivity: 64.7912 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds