1-(3-methylbut-2-en-1-yl)piperidin-4-amine

• ChemBase ID: 271950
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC=C(C)C)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC=C(C)C
• InChI: InChI=1S/C10H20N2/c1-9(2)3-6-12-7-4-10(11)5-8-12/h3,10H,4-8,11H2,1-2H3
• InChIKey: PAGWRPSCTUYREK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylbut-2-en-1-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(3-methylbut-2-en-1-yl)piperidin-4-amine
• Synonyms: 1-(3-methylbut-2-en-1-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12137447
• PubChem SID: 164327860
• PubChem CID: 43556892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.809698
• LogD (pH = 7.4): -2.7287734
• Log P: 0.7625933
• Molar Refractivity: 54.4881 cm^3
• Polarizability: 21.271496 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.096

Product Information

• Purity: 95%