2,2-dicyclopropylethan-1-amine

• ChemBase ID: 283968
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1(CC1)C(C1CC1)CN
• Canonical SMILES: NCC(C1CC1)C1CC1
• InChI: InChI=1S/C8H15N/c9-5-8(6-1-2-6)7-3-4-7/h6-8H,1-5,9H2
• InChIKey: BKVXMCNNRQIGRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dicyclopropylethan-1-amine
• IUPAC Traditional name: 2,2-dicyclopropylethanamine
• Synonyms: 2,2-dicyclopropylethan-1-amine

Database IDs

• MDL Number: MFCD11641494
• PubChem SID: 180669499
• PubChem CID: 18986354

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8693848
• LogD (pH = 7.4): -1.4485778
• Log P: 1.1545681
• Molar Refractivity: 38.3578 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.681

Product Information

• Purity: 95%