4-methylpentan-1-amine

• ChemBase ID: 255478
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: NCCCC(C)C
• Canonical SMILES: NCCCC(C)C
• InChI: InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3
• InChIKey: QVIAMKXOQGCYCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpentan-1-amine
• IUPAC Traditional name: 4-methyl-pentylamine
• Synonyms: 4-methylpentan-1-amine

Database IDs

• MDL Number: MFCD06212593
• PubChem SID: 164311388
• PubChem CID: 219608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5939542
• LogD (pH = 7.4): -1.1739992
• Log P: 1.430028
• Molar Refractivity: 32.942 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.851

Product Information

• Purity: 95%