pentyl(propan-2-yl)amine

• ChemBase ID: 255727
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: N(C(C)C)CCCCC
• Canonical SMILES: CCCCCNC(C)C
• InChI: InChI=1S/C8H19N/c1-4-5-6-7-9-8(2)3/h8-9H,4-7H2,1-3H3
• InChIKey: QCWXZFZXEGTLOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentyl(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(pentyl)amine
• Synonyms: N-isopropyl-N-pentylamine

Database IDs

• MDL Number: MFCD09813342
• PubChem SID: 164311637
• PubChem CID: 3015838

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8883708
• LogD (pH = 7.4): -0.6235565
• Log P: 2.348972
• Molar Refractivity: 42.3354 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.436

Product Information

• Purity: 95%