(pentan-2-yl)(pentyl)amine

• ChemBase ID: 263957
• Molecular Formular: C10H23N
• Molecular Mass: 157.29632
• Monoisotopic Mass: 157.18304974
• SMILES: N(C(CCC)C)CCCCC
• Canonical SMILES: CCCCCNC(CCC)C
• InChI: InChI=1S/C10H23N/c1-4-6-7-9-11-10(3)8-5-2/h10-11H,4-9H2,1-3H3
• InChIKey: ZHGJYFYOVKKNQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentan-2-yl)(pentyl)amine
• IUPAC Traditional name: pentan-2-yl(pentyl)amine
• Synonyms: pentan-2-yl(pentyl)amine

Database IDs

• MDL Number: MFCD11141204
• PubChem SID: 164319867
• PubChem CID: 108551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.077511735
• LogD (pH = 7.4): 0.28808436
• Log P: 3.3160632
• Molar Refractivity: 51.4604 cm^3
• Polarizability: 20.73024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.494

Product Information

• Purity: 95%