1-(3-methylpiperidin-1-yl)propan-2-amine

• ChemBase ID: 263046
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CCC1)C)CC(N)C
• Canonical SMILES: CC(CN1CCCC(C1)C)N
• InChI: InChI=1S/C9H20N2/c1-8-4-3-5-11(6-8)7-9(2)10/h8-9H,3-7,10H2,1-2H3
• InChIKey: OPSPNTUNGOXOIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylpiperidin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(3-methylpiperidin-1-yl)propan-2-amine
• Synonyms: 1-(3-methylpiperidin-1-yl)propan-2-amine

Database IDs

• MDL Number: MFCD09729926
• PubChem SID: 164318956
• PubChem CID: 16783223

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9210343
• LogD (pH = 7.4): -1.6997285
• Log P: 1.0250996
• Molar Refractivity: 48.9703 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.711

Product Information

• Purity: 95%