3-(aminomethyl)-2-methylpentane

• ChemBase ID: 277646
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(C(C)C)(CN)CC
• Canonical SMILES: CCC(C(C)C)CN
• InChI: InChI=1S/C7H17N/c1-4-7(5-8)6(2)3/h6-7H,4-5,8H2,1-3H3
• InChIKey: DUVMZZKAZNNLQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-2-methylpentane
• IUPAC Traditional name: 3-(aminomethyl)-2-methylpentane
• Synonyms: 3-(aminomethyl)-2-methylpentane

Database IDs

• MDL Number: MFCD12807248
• PubChem SID: 164333556
• PubChem CID: 23594993

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2291408
• LogD (pH = 7.4): -0.8138532
• Log P: 1.7950008
• Molar Refractivity: 37.4136 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.25

Product Information

• Purity: 95%