2,3-dimethylbutan-1-amine

• ChemBase ID: 277970
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(C(C)C)(CN)C
• Canonical SMILES: NCC(C(C)C)C
• InChI: InChI=1S/C6H15N/c1-5(2)6(3)4-7/h5-6H,4,7H2,1-3H3
• InChIKey: GBMSZXWHMSSBGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylbutan-1-amine
• IUPAC Traditional name: isopropyl-propyl-amine
• Synonyms: 2,3-dimethylbutan-1-amine

Database IDs

• MDL Number: MFCD11590317
• PubChem SID: 164333880
• PubChem CID: 19822625

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6738691
• LogD (pH = 7.4): -1.2633086
• Log P: 1.350432
• Molar Refractivity: 32.8126 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.721

Product Information

• Purity: 95%