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

• ChemBase ID: 101746
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(N)(C)C)CCCCC1
• Canonical SMILES: CC(CN1CCCCC1)(N)C
• InChI: InChI=1S/C9H20N2/c1-9(2,10)8-11-6-4-3-5-7-11/h3-8,10H2,1-2H3
• InChIKey: IMBNEKOMEDCTCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(piperidin-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(piperidin-1-yl)propan-2-amine
• Synonyms: 2-methyl-1-piperidino-2-propanamine; (1,1-dimethyl-2-piperidin-1-ylethyl)amine

Database IDs

• CAS Number: 6105-74-4
• MDL Number: MFCD05022423
• PubChem SID: 162088870
• PubChem CID: 2794702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3893366
• LogD (pH = 7.4): -2.2090404
• Log P: 0.9407035
• Molar Refractivity: 49.1369 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%