(4-aminobutyl)bis(propan-2-yl)amine

• ChemBase ID: 107516
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CC(C)N(CCCCN)C(C)C
• Canonical SMILES: NCCCCN(C(C)C)C(C)C
• InChI: InChI=1S/C10H24N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-8,11H2,1-4H3
• InChIKey: OWRQMOQBTYIJQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminobutyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (4-aminobutyl)diisopropylamine
• Synonyms: 4-DIISOPROPYLAMINOBUTYLAMINE

Database IDs

• PubChem SID: 162106052
• PubChem CID: 15365351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.002154
• LogD (pH = 7.4): -4.271539
• Log P: 1.517274
• Molar Refractivity: 55.7827 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204039

MP Biomedicals Rare Chemical collection