1-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]cyclopropan-1-amine

• ChemBase ID: 530724
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: C(=O)(N1C(CC=C)(CC=C)CCC1)C1(CC1)N
• Canonical SMILES: C=CCC1(CC=C)CCCN1C(=O)C1(N)CC1
• InChI: InChI=1S/C14H22N2O/c1-3-6-13(7-4-2)8-5-11-16(13)12(17)14(15)9-10-14/h3-4H,1-2,5-11,15H2
• InChIKey: YYFDRUZDMOPYGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[2,2-bis(prop-2-en-1-yl)pyrrolidine-1-carbonyl]cyclopropan-1-amine
• Synonyms: 1-[(2,2-diallylpyrrolidin-1-yl)carbonyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9642439
• LogD (pH = 7.4): 0.6959718
• Log P: 1.615801
• Molar Refractivity: 69.8062 cm^3
• Polarizability: 27.315289 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 1.84
• LOG S: -2.48