[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methanamine

• ChemBase ID: 308111
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1(CC1)(CN1CCCC1)CN
• Canonical SMILES: NCC1(CC1)CN1CCCC1
• InChI: InChI=1S/C9H18N2/c10-7-9(3-4-9)8-11-5-1-2-6-11/h1-8,10H2
• InChIKey: HKRKCEYPGZUQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methanamine
• Synonyms: 1-[1-(1-pyrrolidinylmethyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 1001345-81-8
• MDL Number: MFCD09971262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.778315
• LogD (pH = 7.4): -3.6706324
• Log P: 0.3668921
• Molar Refractivity: 47.3014 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2