N-methyl-1-(propan-2-yl)piperidin-4-amine

• ChemBase ID: 17206
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)NC)C(C)C
• Canonical SMILES: CNC1CCN(CC1)C(C)C
• InChI: InChI=1S/C9H20N2/c1-8(2)11-6-4-9(10-3)5-7-11/h8-10H,4-7H2,1-3H3
• InChIKey: IKTZTXACQRUKHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(propan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-isopropyl-N-methylpiperidin-4-amine
• Synonyms: (1-Isopropyl-piperidin-4-yl)-methyl-amine; 1-isopropyl-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD07186431
• PubChem SID: 160980513
• PubChem CID: 3159676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2020183
• LogD (pH = 7.4): -3.140763
• Log P: 0.60731065
• Molar Refractivity: 49.3119 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.208

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%