8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 281558
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC(CC1CC2)N)CC1CC1
• Canonical SMILES: NC1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C11H20N2/c12-9-5-10-3-4-11(6-9)13(10)7-8-1-2-8/h8-11H,1-7,12H2
• InChIKey: XVNCEYGZCTXFSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• MDL Number: MFCD13196367
• PubChem SID: 180667089
• PubChem CID: 18921969

CALCULATED PROPERTIES

• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6370254
• LogD (pH = 7.4): -4.0103207
• Log P: 0.70725614
• Molar Refractivity: 54.1933 cm^3
• Polarizability: 21.872458 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.511

Product Information

• Purity: 95%