(2,2,3,4,4-2H5)pentan-3-amine

• ChemBase ID: 160381
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: C(C(CC)N)C
• Canonical SMILES: CCC(CC)N
• InChI: InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
• InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,3,4,4-^2H₅)pentan-3-amine
• IUPAC Traditional name: (2,2,3,4,4-^2H₅)pentan-3-amine
• Synonyms: 3-Pentanamine; 1-Ethylpropylamine; 3-Pentylamine; NSC 165575; 3-Aminopentane-d5

Database IDs

• PubChem SID: 162254516
• PubChem CID: 71313330

CALCULATED PROPERTIES

• Log P: 1.1929688
• Molar Refractivity: 28.1342 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8351722
• LogD (pH = 7.4): -1.5580716

DETAILS

Toronto Research Chemicals - A618952

Deuterated Aminopentane.