2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethan-1-amine

• ChemBase ID: 306649
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: n1c(nc(c2c1CCCC2)C)CCN
• Canonical SMILES: NCCc1nc2CCCCc2c(n1)C
• InChI: InChI=1S/C11H17N3/c1-8-9-4-2-3-5-10(9)14-11(13-8)6-7-12/h2-7,12H2,1H3
• InChIKey: AAJGKNIYTPCGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
• Synonyms: 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine

Database IDs

• MDL Number: MFCD09055204

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8030987
• LogD (pH = 7.4): -0.6841062
• Log P: 1.3360474
• Molar Refractivity: 57.0557 cm^3
• Polarizability: 21.915823 Å^3
• Polar Surface Area: 51.8 Å^2