(2-methylpropyl)(pentan-3-yl)amine

• ChemBase ID: 286389
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: N(CC(C)C)C(CC)CC
• Canonical SMILES: CCC(NCC(C)C)CC
• InChI: InChI=1S/C9H21N/c1-5-9(6-2)10-7-8(3)4/h8-10H,5-7H2,1-4H3
• InChIKey: SMLLWBRDZNXWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(pentan-3-yl)amine
• IUPAC Traditional name: (2-methylpropyl)(pentan-3-yl)amine
• Synonyms: (2-methylpropyl)(pentan-3-yl)amine

Database IDs

• MDL Number: MFCD11139705
• PubChem SID: 180671920
• PubChem CID: 28428271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.37034053
• LogD (pH = 7.4): -0.24666211
• Log P: 2.8698525
• Molar Refractivity: 46.653 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.835

Product Information

• Purity: 95%