2-N,2-N,6-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-2,4-diamine

• ChemBase ID: 199447
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c12c(nc(cc1N)N(C)C)CCN(C2)C
• Canonical SMILES: CN1CCc2c(C1)c(N)cc(n2)N(C)C
• InChI: InChI=1S/C11H18N4/c1-14(2)11-6-9(12)8-7-15(3)5-4-10(8)13-11/h6H,4-5,7H2,1-3H3,(H2,12,13)
• InChIKey: DYNRBRWXPDYLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N,6-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-2,4-diamine
• IUPAC Traditional name: 2-N,2-N,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridine-2,4-diamine

Database IDs

• PubChem SID: 164255357
• PubChem CID: 738353

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9693959
• LogD (pH = 7.4): -0.7547167
• Log P: 0.64025754
• Molar Refractivity: 64.6181 cm^3
• Polarizability: 23.46984 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: i-PrOH
• Classification: Rare Derivatives of Natural Compounds