N-(naphthalen-1-ylmethyl)cyclopropanamine

• ChemBase ID: 312481
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: C1(CC1)NCc1c2c(ccc1)cccc2
• Canonical SMILES: c1ccc2c(c1)c(CNC1CC1)ccc2
• InChI: InChI=1S/C14H15N/c1-2-7-14-11(4-1)5-3-6-12(14)10-15-13-8-9-13/h1-7,13,15H,8-10H2
• InChIKey: ZWWHJEKFNUUAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(naphthalen-1-ylmethyl)cyclopropanamine
• Synonyms: N-(1-naphthylmethyl)cyclopropanamine

Database IDs

• CAS Number: 110931-74-3
• MDL Number: MFCD07408162

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21274422
• LogD (pH = 7.4): 0.70636946
• Log P: 2.986636
• Molar Refractivity: 62.9674 cm^3
• Polarizability: 26.175571 Å^3
• Polar Surface Area: 12.03 Å^2