N-cyclopropyl-1-ethylpiperidin-4-amine

• ChemBase ID: 262453
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CCC(NC2CC2)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)NC1CC1
• InChI: InChI=1S/C10H20N2/c1-2-12-7-5-10(6-8-12)11-9-3-4-9/h9-11H,2-8H2,1H3
• InChIKey: ZLUQDLBKWXWVGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-ethylpiperidin-4-amine
• IUPAC Traditional name: N-cyclopropyl-1-ethylpiperidin-4-amine
• Synonyms: N-cyclopropyl-1-ethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD09040673
• PubChem SID: 164318363
• PubChem CID: 16228733

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5925
• LogD (pH = 7.4): -2.5025847
• Log P: 0.6563001
• Molar Refractivity: 52.1043 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.653

Product Information

• Purity: 95%