2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethan-1-amine

• ChemBase ID: 309030
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1([C@@H](CCC[C@@H]1C)C)CCN
• Canonical SMILES: NCCN1[C@H](C)CCC[C@@H]1C
• InChI: InChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3/t8-,9+
• InChIKey: DQQHMRVHTMHDGE-DTORHVGOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethan-1-amine
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanamine
• Synonyms: 2-[cis-2,6-dimethyl-1-piperidinyl]ethanamine

Database IDs

• CAS Number: 1788-35-8
• MDL Number: MFCD12827523

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7792635
• LogD (pH = 7.4): -1.6792312
• Log P: 1.0767019
• Molar Refractivity: 48.9175 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2