(3-azaniumylpropyl)({4-[(3-azaniumylpropyl)azaniumyl]butyl})azanium

• ChemBase ID: 2293
• Molecular Formular: C10H30N4++++
• Molecular Mass: 206.372
• Monoisotopic Mass: 206.24704698
• SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
• Canonical SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]
• InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4
• InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-R

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-azaniumylpropyl)({4-[(3-azaniumylpropyl)azaniumyl]butyl})azanium
• IUPAC Traditional name: SPM
• Synonyms: Spermine (Fully Protonated Form)

Database IDs

• PubChem SID: 162103329
• PubChem CID: 446718

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 4
• LogD (pH = 5.5): -13.23318
• LogD (pH = 7.4): -9.554461
• Log P: -1.4540076
• Molar Refractivity: 107.9736 cm^3
• Polarizability: 25.005613 Å^3
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.8
• LOG S: -6.65
• Solubility (Water): 7.77e-05 g/l

DETAILS

DrugBank - DB02564

Drug information: experimental