(2-aminoethyl)bis(2-methylpropyl)amine

• ChemBase ID: 306468
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: N(CC(C)C)(CC(C)C)CCN
• Canonical SMILES: NCCN(CC(C)C)CC(C)C
• InChI: InChI=1S/C10H24N2/c1-9(2)7-12(6-5-11)8-10(3)4/h9-10H,5-8,11H2,1-4H3
• InChIKey: KEJMAAPZOAUTRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)bis(2-methylpropyl)amine
• IUPAC Traditional name: (2-aminoethyl)bis(2-methylpropyl)amine
• Synonyms: (2-aminoethyl)diisobutylamine

Database IDs

• CAS Number: 14156-98-0
• MDL Number: MFCD00048342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1187685
• LogD (pH = 7.4): -1.2106712
• Log P: 1.8817921
• Molar Refractivity: 55.4263 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 29.26 Å^2