2-amino-2-propylpentanenitrile

• ChemBase ID: 267788
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N#CC(N)(CCC)CCC
• Canonical SMILES: CCCC(C#N)(CCC)N
• InChI: InChI=1S/C8H16N2/c1-3-5-8(10,7-9)6-4-2/h3-6,10H2,1-2H3
• InChIKey: MZNLCHDTOHNJFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-propylpentanenitrile
• IUPAC Traditional name: 2-amino-2-propylpentanenitrile
• Synonyms: 2-amino-2-propylpentanenitrile

Database IDs

• MDL Number: MFCD09813845
• PubChem SID: 164323698
• PubChem CID: 20116523

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.6977016
• Log P: 1.8461856
• Molar Refractivity: 42.4399 cm^3
• Polarizability: 16.83952 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.33502898

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.352

Product Information

• Purity: 95%