2-(pentan-3-yl)oxan-4-amine

• ChemBase ID: 248101
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(CC(N)CCO1)C(CC)CC
• Canonical SMILES: CCC(C1OCCC(C1)N)CC
• InChI: InChI=1S/C10H21NO/c1-3-8(4-2)10-7-9(11)5-6-12-10/h8-10H,3-7,11H2,1-2H3
• InChIKey: UHNVXBUVWKYCPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pentan-3-yl)oxan-4-amine
• IUPAC Traditional name: 2-(pentan-3-yl)oxan-4-amine
• Synonyms: 2-(pentan-3-yl)oxan-4-amine

Database IDs

• MDL Number: MFCD19650746
• PubChem SID: 164304011
• PubChem CID: 64106641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.496992
• LogD (pH = 7.4): -1.1378586
• Log P: 1.5289348
• Molar Refractivity: 51.0107 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.473

Product Information

• Purity: 95%