3-ethylpentan-3-amine

• ChemBase ID: 112760
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: CCC(N)(CC)CC
• Canonical SMILES: CCC(CC)(CC)N
• InChI: InChI=1S/C7H17N/c1-4-7(8,5-2)6-3/h4-6,8H2,1-3H3
• InChIKey: JLEIRAYWBMNMKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpentan-3-amine
• IUPAC Traditional name: 3-ethylpentan-3-amine
• Synonyms: TAN; 1,1-diethylpropylamine; (1,1-diethylpropyl)amine

Database IDs

• MDL Number: MFCD12068202
• PubChem SID: 162106778
• PubChem CID: 448678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0344881
• LogD (pH = 7.4): -0.8698439
• Log P: 1.996068
• Molar Refractivity: 37.2964 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.16

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05225668

MP Biomedicals Rare Chemical collection