(1-amino-3-ethylpentan-2-yl)dimethylamine

• ChemBase ID: 254117
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: C(N(C)C)(C(CC)CC)CN
• Canonical SMILES: CCC(C(N(C)C)CN)CC
• InChI: InChI=1S/C9H22N2/c1-5-8(6-2)9(7-10)11(3)4/h8-9H,5-7,10H2,1-4H3
• InChIKey: KSMHCPGLPFFCFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-3-ethylpentan-2-yl)dimethylamine
• IUPAC Traditional name: (1-amino-3-ethylpentan-2-yl)dimethylamine
• Synonyms: N-[1-(aminomethyl)-2-ethylbutyl]-N,N-dimethylamine

Database IDs

• MDL Number: MFCD09413279
• PubChem SID: 164310027
• PubChem CID: 42933682

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2325
• LogD (pH = 7.4): -0.973256
• Log P: 1.5863932
• Molar Refractivity: 50.5543 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): 1.972

Product Information

• Purity: 95%