(cyclopropylmethyl)(ethyl)[2-(piperidin-4-yl)ethyl]amine

• ChemBase ID: 246327
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: C1(CC1)CN(CCC1CCNCC1)CC
• Canonical SMILES: CCN(CC1CC1)CCC1CCNCC1
• InChI: InChI=1S/C13H26N2/c1-2-15(11-13-3-4-13)10-7-12-5-8-14-9-6-12/h12-14H,2-11H2,1H3
• InChIKey: NTCMKNDWEWHATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(ethyl)[2-(piperidin-4-yl)ethyl]amine
• IUPAC Traditional name: (cyclopropylmethyl)(ethyl)[2-(piperidin-4-yl)ethyl]amine
• Synonyms: (cyclopropylmethyl)(ethyl)[2-(piperidin-4-yl)ethyl]amine

Database IDs

• MDL Number: MFCD19609701
• PubChem SID: 164302237
• PubChem CID: 63953995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.924921
• LogD (pH = 7.4): -4.0370874
• Log P: 1.7985286
• Molar Refractivity: 66.3311 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%