N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

• ChemBase ID: 798491
• Molecular Formular: C13H17N3
• Molecular Mass: 215.29418
• Monoisotopic Mass: 215.14224756
• SMILES: N1C(=NCC1)Nc1c2CCCCc2ccc1
• Canonical SMILES: C1CN=C(N1)Nc1cccc2c1CCCC2
• InChI: InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
• InChIKey: QQJLHRRUATVHED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
• IUPAC Traditional name: tramazoline
• Synonyms: 2-(5,6,7,8-tetrahydro-1-naphthylamino)-2-imidazoline

Database IDs

• CAS Number: 1082-57-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.31834733
• LogD (pH = 7.4): 0.57728696
• Log P: 2.7292535
• Molar Refractivity: 66.9614 cm^3
• Polarizability: 24.605587 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%