2-(pyrrolidin-1-ylmethyl)pyrrolidine

• ChemBase ID: 24614
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2NCCC2)CCCC1
• Canonical SMILES: C1CCN(C1)CC1CCCN1
• InChI: InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2
• InChIKey: YLBWRMSQRFEIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-ylmethyl)pyrrolidine
• IUPAC Traditional name: 2-(pyrrolidin-1-ylmethyl)pyrrolidine
• Synonyms: 1-(Pyrrolidin-2-ylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD06653330
• PubChem SID: 160987921
• PubChem CID: 142825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.535761
• LogD (pH = 7.4): -2.7264926
• Log P: 0.69712806
• Molar Refractivity: 47.4647 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.894

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%