{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

• ChemBase ID: 261848
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2CC(CC1CC2)CN)C
• Canonical SMILES: NCC1CC2CCC(C1)N2C
• InChI: InChI=1S/C9H18N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3
• InChIKey: JDLGJYZMVRWAQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• IUPAC Traditional name: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• Synonyms: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

Database IDs

• MDL Number: MFCD11641542
• PubChem SID: 164317758
• PubChem CID: 43316838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.11313
• LogD (pH = 7.4): -4.9687862
• Log P: 0.38727963
• Molar Refractivity: 47.0693 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Hydrophobicity(logP): 0.327

Product Information

• Purity: 95%