2,2-diethyl-3-methoxycyclobutan-1-amine

• ChemBase ID: 239402
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(C(CC1OC)N)(CC)CC
• Canonical SMILES: COC1CC(C1(CC)CC)N
• InChI: InChI=1S/C9H19NO/c1-4-9(5-2)7(10)6-8(9)11-3/h7-8H,4-6,10H2,1-3H3
• InChIKey: ACLMMZWSFWNWEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-3-methoxycyclobutan-1-amine
• IUPAC Traditional name: 2,2-diethyl-3-methoxycyclobutan-1-amine
• Synonyms: 2,2-diethyl-3-methoxycyclobutan-1-amine

Database IDs

• MDL Number: MFCD21757669
• PubChem SID: 164295312
• PubChem CID: 66358177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7543297
• LogD (pH = 7.4): -1.0604919
• Log P: 1.2563068
• Molar Refractivity: 46.0258 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.318

Product Information

• Purity: 95%