(6-methylhept-5-en-2-yl)[3-(oxolan-3-yl)propyl]amine

• ChemBase ID: 513696
• Molecular Formular: C15H29NO
• Molecular Mass: 239.39686
• Monoisotopic Mass: 239.22491455
• SMILES: C(=CCCC(NCCCC1COCC1)C)(C)C
• Canonical SMILES: CC(CCC=C(C)C)NCCCC1COCC1
• InChI: InChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)16-10-5-8-15-9-11-17-12-15/h6,14-16H,4-5,7-12H2,1-3H3
• InChIKey: WXWCRVKRXILBDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylhept-5-en-2-yl)[3-(oxolan-3-yl)propyl]amine
• IUPAC Traditional name: (6-methylhept-5-en-2-yl)[3-(oxolan-3-yl)propyl]amine
• Synonyms: (1,5-dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.05427113
• LogD (pH = 7.4): 0.14427635
• Log P: 3.184528
• Molar Refractivity: 75.4809 cm^3
• Polarizability: 29.636332 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.23
• LOG S: -2.7
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8