1-(2-methylprop-2-en-1-yl)piperidin-4-amine

• ChemBase ID: 271182
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC(=C)C)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(=C)C
• InChI: InChI=1S/C9H18N2/c1-8(2)7-11-5-3-9(10)4-6-11/h9H,1,3-7,10H2,2H3
• InChIKey: IYKXOXGJPQXOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylprop-2-en-1-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-methylprop-2-en-1-yl)piperidin-4-amine
• Synonyms: 1-(2-methylprop-2-en-1-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11586523
• PubChem SID: 164327092
• PubChem CID: 28282736

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2742586
• LogD (pH = 7.4): -3.192326
• Log P: 0.37595835
• Molar Refractivity: 48.8146 cm^3
• Polarizability: 19.424656 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.567

Product Information

• Purity: 95%