(1-aminopentan-2-yl)dimethylamine

• ChemBase ID: 33558
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(C(CN)CCC)(C)C
• Canonical SMILES: CCCC(N(C)C)CN
• InChI: InChI=1S/C7H18N2/c1-4-5-7(6-8)9(2)3/h7H,4-6,8H2,1-3H3
• InChIKey: PLHKKHOLOZDWIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminopentan-2-yl)dimethylamine
• IUPAC Traditional name: (1-aminopentan-2-yl)dimethylamine
• Synonyms: N~2~,N~2~-dimethyl-1,2-pentanediamine; N-[1-(Aminomethyl)butyl]-N,N-dimethylamine

Database IDs

• CAS Number: 19764-60-4
• MDL Number: MFCD09733444
• PubChem SID: 160996865
• PubChem CID: 16786689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1159434
• LogD (pH = 7.4): -1.804441
• Log P: 0.7768517
• Molar Refractivity: 41.4817 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false