3-methylpentan-2-amine

• ChemBase ID: 263447
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(N)(C(CC)C)C
• Canonical SMILES: CCC(C(N)C)C
• InChI: InChI=1S/C6H15N/c1-4-5(2)6(3)7/h5-6H,4,7H2,1-3H3
• InChIKey: ZFAGOADKDXXTSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00025561
• PubChem SID: 164319357
• PubChem CID: 3015773

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5480653
• LogD (pH = 7.4): -1.2673907
• Log P: 1.479988
• Molar Refractivity: 32.6828 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%