1-(3,5-dimethylpiperidin-1-yl)propan-2-amine

• ChemBase ID: 263243
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(CC(C1)C)C)CC(N)C
• Canonical SMILES: CC(CN1CC(C)CC(C1)C)N
• InChI: InChI=1S/C10H22N2/c1-8-4-9(2)6-12(5-8)7-10(3)11/h8-10H,4-7,11H2,1-3H3
• InChIKey: JYXDJWHFBOONFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethylpiperidin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(3,5-dimethylpiperidin-1-yl)propan-2-amine
• Synonyms: 1-(3,5-dimethylpiperidin-1-yl)propan-2-amine

Database IDs

• MDL Number: MFCD09741460
• PubChem SID: 164319153
• PubChem CID: 16794632

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6709712
• LogD (pH = 7.4): -1.5060693
• Log P: 1.3900725
• Molar Refractivity: 53.4419 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.23

Product Information

• Purity: 95%