1-(propan-2-yl)pyrrolidin-3-amine

• ChemBase ID: 264699
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(CC1)N)C(C)C
• Canonical SMILES: NC1CCN(C1)C(C)C
• InChI: InChI=1S/C7H16N2/c1-6(2)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3
• InChIKey: SYMMPPWYYXRLJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-isopropylpyrrolidin-3-amine
• Synonyms: 1-(propan-2-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD09026515
• PubChem SID: 164320609
• PubChem CID: 16244563

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.951802
• LogD (pH = 7.4): -2.795723
• Log P: 0.1147705
• Molar Refractivity: 39.6719 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.533

Product Information

• Purity: 95%