[1-(prop-2-en-1-yl)pyrrolidin-3-yl]methanamine

• ChemBase ID: 307963
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(CC(CC1)CN)CC=C
• Canonical SMILES: C=CCN1CCC(C1)CN
• InChI: InChI=1S/C8H16N2/c1-2-4-10-5-3-8(6-9)7-10/h2,8H,1,3-7,9H2
• InChIKey: SQSLLTYAXASINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(prop-2-en-1-yl)pyrrolidin-3-yl]methanamine
• IUPAC Traditional name: [1-(prop-2-en-1-yl)pyrrolidin-3-yl]methanamine
• Synonyms: 1-(1-allyl-3-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 90346-05-7
• MDL Number: MFCD12827465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.736872
• LogD (pH = 7.4): -3.5911732
• Log P: 0.19018589
• Molar Refractivity: 44.6508 cm^3
• Polarizability: 17.577856 Å^3
• Polar Surface Area: 29.26 Å^2