bicyclo[3.3.1]nonane-2,6-diamine

• ChemBase ID: 282814
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1C2C(CCC1C(CC2)N)N
• Canonical SMILES: NC1CCC2CC1CCC2N
• InChI: InChI=1S/C9H18N2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-9H,1-5,10-11H2
• InChIKey: ZLASPSJALPMJKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.3.1]nonane-2,6-diamine
• IUPAC Traditional name: bicyclo[3.3.1]nonane-2,6-diamine
• Synonyms: bicyclo[3.3.1]nonane-2,6-diamine

Database IDs

• MDL Number: MFCD20441684
• PubChem SID: 180668345
• PubChem CID: 54595531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.6657424
• LogD (pH = 7.4): -5.1306314
• Log P: 0.39099976
• Molar Refractivity: 46.002 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.773

Product Information

• Purity: 95%