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

• ChemBase ID: 281574
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC(CC1CC2)CN)C1CC1
• Canonical SMILES: NCC1CC2CCC(C1)N2C1CC1
• InChI: InChI=1S/C11H20N2/c12-7-8-5-10-3-4-11(6-8)13(10)9-1-2-9/h8-11H,1-7,12H2
• InChIKey: ZUASHELDOVYWKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196383
• PubChem SID: 180667105
• PubChem CID: 45792690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.669759
• LogD (pH = 7.4): -5.0772943
• Log P: 0.8528442
• Molar Refractivity: 54.2805 cm^3
• Polarizability: 21.872458 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.651

Product Information

• Purity: 95%