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

• ChemBase ID: 284505
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(C(C1)N)C)C(C)C
• Canonical SMILES: CC(N1CC(C(C1)C)N)C
• InChI: InChI=1S/C8H18N2/c1-6(2)10-4-7(3)8(9)5-10/h6-8H,4-5,9H2,1-3H3
• InChIKey: GUDNKWNWSKSETH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(propan-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-isopropyl-4-methylpyrrolidin-3-amine
• Synonyms: 4-methyl-1-(propan-2-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD22370008
• PubChem SID: 180670036
• PubChem CID: 58030188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6139708
• LogD (pH = 7.4): -2.502304
• Log P: 0.59409404
• Molar Refractivity: 44.0883 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.052

Product Information

• Purity: 95%