7-(pyrrolidin-1-yl)heptan-1-amine

• ChemBase ID: 262414
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CCCCCCCN)CCCC1
• Canonical SMILES: NCCCCCCCN1CCCC1
• InChI: InChI=1S/C11H24N2/c12-8-4-2-1-3-5-9-13-10-6-7-11-13/h1-12H2
• InChIKey: IDBMSBDOLQSCEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(pyrrolidin-1-yl)heptan-1-amine
• IUPAC Traditional name: 7-(pyrrolidin-1-yl)heptan-1-amine
• Synonyms: 7-(pyrrolidin-1-yl)heptan-1-amine

Database IDs

• MDL Number: MFCD11154919
• PubChem SID: 164318324
• PubChem CID: 28596867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.784381
• LogD (pH = 7.4): -3.5589976
• Log P: 1.7100115
• Molar Refractivity: 58.7919 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.109

Product Information

• Purity: 95%