[1-(propan-2-yl)piperidin-2-yl]methanamine

• ChemBase ID: 241724
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(CN)CCCC1)C(C)C
• Canonical SMILES: NCC1CCCCN1C(C)C
• InChI: InChI=1S/C9H20N2/c1-8(2)11-6-4-3-5-9(11)7-10/h8-9H,3-7,10H2,1-2H3
• InChIKey: DWJDCMNVRMEEBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(propan-2-yl)piperidin-2-yl]methanamine
• IUPAC Traditional name: (1-isopropylpiperidin-2-yl)methanamine
• Synonyms: [1-(propan-2-yl)piperidin-2-yl]methanamine

Database IDs

• MDL Number: MFCD11131558
• PubChem SID: 164297634
• PubChem CID: 43187049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7963896
• LogD (pH = 7.4): -1.6830553
• Log P: 1.0767019
• Molar Refractivity: 48.9175 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%