1-azatricyclo[3.3.1.13,7]decan-4-amine

• ChemBase ID: 277712
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N12CC3C(C(C1)CC(C3)C2)N
• Canonical SMILES: NC1C2CC3CC1CN(C2)C3
• InChI: InChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2
• InChIKey: KBANJTYDXMCGKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azatricyclo[3.3.1.1^3,^7]decan-4-amine
• IUPAC Traditional name: 1-azatricyclo[3.3.1.1^3,^7]decan-4-amine
• Synonyms: 1-azatricyclo[3.3.1.1^{3,7}]decan-4-amine

Database IDs

• MDL Number: MFCD19686568
• PubChem SID: 164333622
• PubChem CID: 15686618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.21682
• LogD (pH = 7.4): -4.236746
• Log P: -0.21229158
• Molar Refractivity: 45.1405 cm^3
• Polarizability: 18.181505 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.506

Product Information

• Purity: 95%