N-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)cyclopropanamine

• ChemBase ID: 260737
• Molecular Formular: C12H21N
• Molecular Mass: 179.30184
• Monoisotopic Mass: 179.16739968
• SMILES: C12C(CC(C1)CC2)CCNC1CC1
• Canonical SMILES: C(CC1CC2CC1CC2)NC1CC1
• InChI: InChI=1S/C12H21N/c1-2-10-7-9(1)8-11(10)5-6-13-12-3-4-12/h9-13H,1-8H2
• InChIKey: XFYFUEVXXCHEAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)cyclopropanamine
• Synonyms: N-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD11212579
• PubChem SID: 164316647
• PubChem CID: 43163858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8104349
• LogD (pH = 7.4): -0.30799258
• Log P: 2.419328
• Molar Refractivity: 55.0216 cm^3
• Polarizability: 22.19729 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.77

Product Information

• Purity: 95%