dimethyl[2-methyl-2-(6-methyl-4-methylideneoxan-2-yl)propyl]amine

• ChemBase ID: 181182
• Molecular Formular: C13H25NO
• Molecular Mass: 211.3437
• Monoisotopic Mass: 211.19361443
• SMILES: C(C1OC(CC(=C)C1)C)(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C1CC(=C)CC(O1)C)(C)C)C
• InChI: InChI=1S/C13H25NO/c1-10-7-11(2)15-12(8-10)13(3,4)9-14(5)6/h11-12H,1,7-9H2,2-6H3
• InChIKey: KMOSNQZZROCJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-methyl-2-(6-methyl-4-methylideneoxan-2-yl)propyl]amine
• IUPAC Traditional name: dimethyl[2-methyl-2-(6-methyl-4-methylideneoxan-2-yl)propyl]amine

Database IDs

• PubChem SID: 164237092
• PubChem CID: 42648506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.944885
• LogD (pH = 7.4): 0.33819804
• Log P: 2.4409103
• Molar Refractivity: 65.2134 cm^3
• Polarizability: 25.944143 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds