N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 255549
• Molecular Formular: C13H17N
• Molecular Mass: 187.28078
• Monoisotopic Mass: 187.13609955
• SMILES: N(C1c2c(CCC1)cccc2)C1CC1
• Canonical SMILES: c1ccc2c(c1)C(CCC2)NC1CC1
• InChI: InChI=1S/C13H17N/c1-2-6-12-10(4-1)5-3-7-13(12)14-11-8-9-11/h1-2,4,6,11,13-14H,3,5,7-9H2
• InChIKey: MTZRGGFLCZZKQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• MDL Number: MFCD09929164
• PubChem SID: 164311459
• PubChem CID: 24690951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.20655598
• LogD (pH = 7.4): 0.76679945
• Log P: 2.9859521
• Molar Refractivity: 58.699 cm^3
• Polarizability: 23.25769 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.837

Product Information

• Purity: 95%