[2-(dimethylamino)ethyl](propyl)amine

• ChemBase ID: 264586
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCNCCC)(C)C
• Canonical SMILES: CCCNCCN(C)C
• InChI: InChI=1S/C7H18N2/c1-4-5-8-6-7-9(2)3/h8H,4-7H2,1-3H3
• InChIKey: OMCJDNIHQAGLEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](propyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](propyl)amine
• Synonyms: [2-(dimethylamino)ethyl](propyl)amine

Database IDs

• MDL Number: MFCD09733538
• PubChem SID: 164320496
• PubChem CID: 16786785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.613938
• LogD (pH = 7.4): -2.0009212
• Log P: 0.7050964
• Molar Refractivity: 41.9851 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%