[4-(dimethylamino)butyl](methyl)amine

• ChemBase ID: 276745
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCCCNC)(C)C
• Canonical SMILES: CNCCCCN(C)C
• InChI: InChI=1S/C7H18N2/c1-8-6-4-5-7-9(2)3/h8H,4-7H2,1-3H3
• InChIKey: UOTKNWSJLVKOJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethylamino)butyl](methyl)amine
• IUPAC Traditional name: [4-(dimethylamino)butyl](methyl)amine
• Synonyms: [4-(dimethylamino)butyl](methyl)amine

Database IDs

• MDL Number: MFCD12161293
• PubChem SID: 164332655
• PubChem CID: 10419213

CALCULATED PROPERTIES

• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.266477
• LogD (pH = 7.4): -4.8351326
• Log P: 0.40308845
• Molar Refractivity: 42.2225 cm^3
• Polarizability: 16.705751 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.136

Product Information

• Purity: 95%