(3-amino-4,4-dimethylpentyl)dimethylamine

• ChemBase ID: 275778
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: C(C(C(C)(C)C)N)CN(C)C
• Canonical SMILES: CN(CCC(C(C)(C)C)N)C
• InChI: InChI=1S/C9H22N2/c1-9(2,3)8(10)6-7-11(4)5/h8H,6-7,10H2,1-5H3
• InChIKey: NSDLRARBCRDPFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-4,4-dimethylpentyl)dimethylamine
• IUPAC Traditional name: (3-amino-4,4-dimethylpentyl)dimethylamine
• Synonyms: (3-amino-4,4-dimethylpentyl)dimethylamine

Database IDs

• MDL Number: MFCD11558162
• PubChem SID: 164331688
• PubChem CID: 54593855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.746966
• LogD (pH = 7.4): -2.585432
• Log P: 1.1352165
• Molar Refractivity: 50.6158 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.607

Product Information

• Purity: 95%