4,4-dimethylpentan-1-amine

• ChemBase ID: 270679
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(CCCN)(C)(C)C
• Canonical SMILES: NCCCC(C)(C)C
• InChI: InChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
• InChIKey: MJOCCSXOVAVKFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylpentan-1-amine
• IUPAC Traditional name: 4,4-dimethylpentan-1-amine
• Synonyms: 4,4-dimethylpentan-1-amine; (4,4-dimethylpentyl)amine

Database IDs

• CAS Number: 18925-44-5
• MDL Number: MFCD08449513
• PubChem SID: 164326589
• PubChem CID: 14454757

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2939008
• LogD (pH = 7.4): -0.8737631
• Log P: 1.730075
• Molar Refractivity: 37.4171 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): 2.25

Product Information

• Purity: 95%