methyl(2-methylbutyl)amine

• ChemBase ID: 257979
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(CC(CC)C)C
• Canonical SMILES: CNCC(CC)C
• InChI: InChI=1S/C6H15N/c1-4-6(2)5-7-3/h6-7H,4-5H2,1-3H3
• InChIKey: OSUSHJKMXVMILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-methylbutyl)amine
• IUPAC Traditional name: methyl(2-methylbutyl)amine
• Synonyms: methyl(2-methylbutyl)amine

Database IDs

• MDL Number: MFCD11156956
• PubChem SID: 164313889
• PubChem CID: 12998589

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7409204
• LogD (pH = 7.4): -1.4584028
• Log P: 1.4959934
• Molar Refractivity: 33.0386 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.468

Product Information

• Purity: 95%