N-ethyl-1-azabicyclo[3.2.1]octan-6-amine

• ChemBase ID: 243556
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N12CC(C(C1)NCC)CCC2
• Canonical SMILES: CCNC1CN2CC1CCC2
• InChI: InChI=1S/C9H18N2/c1-2-10-9-7-11-5-3-4-8(9)6-11/h8-10H,2-7H2,1H3
• InChIKey: DSITXTNCURRQFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1-azabicyclo[3.2.1]octan-6-amine
• IUPAC Traditional name: N-ethyl-1-azabicyclo[3.2.1]octan-6-amine
• Synonyms: N-ethyl-1-azabicyclo[3.2.1]octan-6-amine

Database IDs

• MDL Number: MFCD22578700
• PubChem SID: 164299466
• PubChem CID: 71757279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7099886
• LogD (pH = 7.4): -2.6151328
• Log P: 0.5811352
• Molar Refractivity: 47.3135 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.412

Product Information

• Purity: 95%