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

• ChemBase ID: 16900
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(CC(C1)C)C)CCCN
• Canonical SMILES: NCCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C10H22N2/c1-9-6-10(2)8-12(7-9)5-3-4-11/h9-10H,3-8,11H2,1-2H3
• InChIKey: DZXDFGJXATZQKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dimethylpiperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(3,5-dimethylpiperidin-1-yl)propan-1-amine
• Synonyms: 3-(3,5-dimethylpiperidin-1-yl)propan-1-amine; 3-(3,5-Dimethyl-piperidin-1-yl)-propylamine

Database IDs

• CAS Number: 878657-11-5
• MDL Number: MFCD03030360
• PubChem SID: 160980207
• PubChem CID: 6487611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9357543
• LogD (pH = 7.4): -2.9679039
• Log P: 1.0334572
• Molar Refractivity: 53.8885 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.006

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%