4-butyl-5-propyl-1$l^{4},3-selenazol-2-amine

• ChemBase ID: 1514
• Molecular Formular: C10H18N2Se
• Molecular Mass: 245.22332
• Monoisotopic Mass: 246.06351959
• SMILES: CCCCc1nc(N)[se]c1CCC
• Canonical SMILES: CCCCc1nc([se]c1CCC)N
• InChI: InChI=1S/C10H18N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h3-7,11H2,1-2H3
• InChIKey: NRAIMIFVIWEEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butyl-5-propyl-1$l^{4},3-selenazol-2-amine
• IUPAC Traditional name: 4-butyl-5-propyl-1$l^{4},3-selenazol-2-amine
• Synonyms: 2-Amino-4-Butyl-5-Propylselenazole

Database IDs

• PubChem SID: 160964972; 46508709
• PubChem CID: 445180

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.408772
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2186975
• LogD (pH = 7.4): 4.2187
• Log P: 4.2187
• Molar Refractivity: 65.2485 cm^3
• Polarizability: 19.808132 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.52
• LOG S: -2.13
• Solubility (Water): 1.84e+00 g/l

DETAILS

DrugBank - DB01740

Drug information: experimental