2-methyl-3-(piperidin-1-yl)propan-1-amine

• ChemBase ID: 261145
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CN)C)CCCCC1
• Canonical SMILES: NCC(CN1CCCCC1)C
• InChI: InChI=1S/C9H20N2/c1-9(7-10)8-11-5-3-2-4-6-11/h9H,2-8,10H2,1H3
• InChIKey: SFNKFWIIQFWXTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(piperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-3-(piperidin-1-yl)propan-1-amine
• Synonyms: 2-methyl-3-(piperidin-1-yl)propan-1-amine

Database IDs

• MDL Number: MFCD08700483
• PubChem SID: 164317055
• PubChem CID: 17609126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.0733757
• LogD (pH = 7.4): -3.027146
• Log P: 0.78283507
• Molar Refractivity: 49.3617 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 148°C
• Hydrophobicity(logP): 1.512

Product Information

• Purity: 95%