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

• ChemBase ID: 260323
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(CN)C)CCCC1
• Canonical SMILES: NCC(CN1CCCC1)C
• InChI: InChI=1S/C8H18N2/c1-8(6-9)7-10-4-2-3-5-10/h8H,2-7,9H2,1H3
• InChIKey: UOJULWGNCNKVHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08700481
• PubChem SID: 164316233
• PubChem CID: 17609129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.9754653
• LogD (pH = 7.4): -4.206827
• Log P: 0.33826643
• Molar Refractivity: 44.7607 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.953

Product Information

• Purity: 95%