2,2-diethyloxan-4-amine

• ChemBase ID: 244311
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(OCCC(C1)N)(CC)CC
• Canonical SMILES: CCC1(CC)OCCC(C1)N
• InChI: InChI=1S/C9H19NO/c1-3-9(4-2)7-8(10)5-6-11-9/h8H,3-7,10H2,1-2H3
• InChIKey: SYEFYWOBJCEVNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyloxan-4-amine
• IUPAC Traditional name: 2,2-diethyloxan-4-amine
• Synonyms: 2,2-diethyloxan-4-amine

Database IDs

• MDL Number: MFCD19651228
• PubChem SID: 164300221
• PubChem CID: 64106689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.947866
• LogD (pH = 7.4): -1.5841451
• Log P: 1.0779237
• Molar Refractivity: 46.4993 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.064

Product Information

• Purity: 95%