[(2S)-1-(prop-2-en-1-yl)pyrrolidin-2-yl]methanamine

• ChemBase ID: 289444
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: NC[C@@H]1CCCN1CC=C
• Canonical SMILES: C=CCN1CCC[C@H]1CN
• InChI: InChI=1S/C8H16N2/c1-2-5-10-6-3-4-8(10)7-9/h2,8H,1,3-7,9H2/t8-/m0/s1
• InChIKey: HTGKTSVPJJNEMQ-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-1-(prop-2-en-1-yl)pyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [(2S)-1-(prop-2-en-1-yl)pyrrolidin-2-yl]methanamine
• Synonyms: N-Allyl-2-(aminomethyl)pyrrolidne

Database IDs

• CAS Number: 66411-51-6
• PubChem SID: 180674975
• PubChem CID: 53895224

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.180106
• LogD (pH = 7.4): -1.86378
• Log P: 0.59000003
• Molar Refractivity: 44.3118 cm^3
• Polarizability: 17.577856 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%