3-(dodecan-5-yloxy)propan-1-amine

• ChemBase ID: 109378
• Molecular Formular: C15H33NO
• Molecular Mass: 243.42862
• Monoisotopic Mass: 243.25621468
• SMILES: CCCCCCCC(CCCC)OCCCN
• Canonical SMILES: CCCCC(OCCCN)CCCCCCC
• InChI: InChI=1S/C15H33NO/c1-3-5-7-8-9-12-15(11-6-4-2)17-14-10-13-16/h15H,3-14,16H2,1-2H3
• InChIKey: VKOZKTKNSWWKPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dodecan-5-yloxy)propan-1-amine
• IUPAC Traditional name: 3-(dodecan-5-yloxy)propan-1-amine
• Synonyms: 3-(α-BUTYLOCTYLOXY)-1-PROPYLAMINE

Database IDs

• PubChem SID: 162106282
• PubChem CID: 18672786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2954739
• LogD (pH = 7.4): 1.757543
• Log P: 4.3179336
• Molar Refractivity: 76.2501 cm^3
• Polarizability: 30.61029 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210825

MP Biomedicals Rare Chemical collection