3-(2,6-dimethylpiperidin-1-yl)propan-1-amine

• ChemBase ID: 11551
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(CCCC1C)C)CCCN
• Canonical SMILES: NCCCN1C(C)CCCC1C
• InChI: InChI=1S/C10H22N2/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8,11H2,1-2H3
• InChIKey: GHJFLCNNVJBMEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylpiperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(2,6-dimethylpiperidin-1-yl)propan-1-amine
• Synonyms: 3-(2,6-Dimethyl-piperidin-1-yl)-propylamine

Database IDs

• CAS Number: 85723-72-4
• MDL Number: MFCD03445119
• PubChem SID: 160974858
• PubChem CID: 3149265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8264203
• LogD (pH = 7.4): -2.8714287
• Log P: 1.1366615
• Molar Refractivity: 53.7829 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false