1-[1-(aminomethyl)cyclopropyl]-2-methylpropan-1-ol

• ChemBase ID: 247212
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CC1)(C(C(C)C)O)CN
• Canonical SMILES: NCC1(CC1)C(C(C)C)O
• InChI: InChI=1S/C8H17NO/c1-6(2)7(10)8(5-9)3-4-8/h6-7,10H,3-5,9H2,1-2H3
• InChIKey: IUNFLTXQCGMMKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(aminomethyl)cyclopropyl]-2-methylpropan-1-ol
• IUPAC Traditional name: 1-[1-(aminomethyl)cyclopropyl]-2-methylpropan-1-ol
• Synonyms: 1-[1-(aminomethyl)cyclopropyl]-2-methylpropan-1-ol

Database IDs

• PubChem SID: 164303122
• PubChem CID: 71758169

CALCULATED PROPERTIES

• Acid pKa: 14.467242
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4348567
• LogD (pH = 7.4): -1.5236592
• Log P: 0.55641836
• Molar Refractivity: 41.448 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.714

Product Information

• Purity: 95%