2,2-dimethylpentan-3-amine

• ChemBase ID: 270755
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(C(N)CC)(C)(C)C
• Canonical SMILES: CCC(C(C)(C)C)N
• InChI: InChI=1S/C7H17N/c1-5-6(8)7(2,3)4/h6H,5,8H2,1-4H3
• InChIKey: PCQKMDBZOIYAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpentan-3-amine
• IUPAC Traditional name: 2,2-dimethylpentan-3-amine
• Synonyms: 2,2-dimethylpentan-3-amine

Database IDs

• MDL Number: MFCD11655434
• PubChem SID: 164326665
• PubChem CID: 13247954

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0884043
• LogD (pH = 7.4): -0.67920405
• Log P: 1.9359425
• Molar Refractivity: 37.0039 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.03

Product Information

• Purity: 95%