1-(piperidin-1-ylmethyl)cyclopropan-1-amine

• ChemBase ID: 307955
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1(CC1)(CN1CCCCC1)N
• Canonical SMILES: NC1(CC1)CN1CCCCC1
• InChI: InChI=1S/C9H18N2/c10-9(4-5-9)8-11-6-2-1-3-7-11/h1-8,10H2
• InChIKey: HFHCKUJNYGGXTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine
• Synonyms: 1-(piperidin-1-ylmethyl)cyclopropanamine

Database IDs

• CAS Number: 1015846-25-9
• MDL Number: MFCD09971211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1997447
• LogD (pH = 7.4): -1.9703966
• Log P: 0.63288504
• Molar Refractivity: 47.1807 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2