(3-aminopropyl)bis(propan-2-yl)amine

• ChemBase ID: 285460
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: N(C(C)C)(C(C)C)CCCN
• Canonical SMILES: NCCCN(C(C)C)C(C)C
• InChI: InChI=1S/C9H22N2/c1-8(2)11(9(3)4)7-5-6-10/h8-9H,5-7,10H2,1-4H3
• InChIKey: QPGRDTXELAFGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (3-aminopropyl)diisopropylamine
• Synonyms: (3-aminopropyl)bis(propan-2-yl)amine

Database IDs

• MDL Number: MFCD11164401
• PubChem SID: 180670991
• PubChem CID: 13802779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9394016
• LogD (pH = 7.4): -2.9899626
• Log P: 0.99991137
• Molar Refractivity: 51.1381 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.647

Product Information

• Purity: 95%