(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methanamine

• ChemBase ID: 306646
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1c2c(c(nc1CN)C)CCCC2
• Canonical SMILES: NCc1nc2CCCCc2c(n1)C
• InChI: InChI=1S/C10H15N3/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-6,11H2,1H3
• InChIKey: MDBOUHXUPNVKKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 936940-73-7
• MDL Number: MFCD09864231

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0736412
• LogD (pH = 7.4): 0.6266777
• Log P: 1.145267
• Molar Refractivity: 52.3563 cm^3
• Polarizability: 20.148714 Å^3
• Polar Surface Area: 51.8 Å^2