2-methylpentan-3-amine

• ChemBase ID: 263741
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(N)(C(C)C)CC
• Canonical SMILES: CCC(C(C)C)N
• InChI: InChI=1S/C6H15N/c1-4-6(7)5(2)3/h5-6H,4,7H2,1-3H3
• InChIKey: JYNQKCFJPQEXSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpentan-3-amine
• IUPAC Traditional name: 2-methylpentan-3-amine
• Synonyms: 2-methylpentan-3-amine

Database IDs

• MDL Number: MFCD11655521
• PubChem SID: 164319651
• PubChem CID: 19031167

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4706985
• LogD (pH = 7.4): -1.2145187
• Log P: 1.5579417
• Molar Refractivity: 32.6058 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): 1.631

Product Information

• Purity: 95%