[1-(2-methylpropyl)cyclobutyl]methanamine

• ChemBase ID: 237343
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CC(C)C)(CN)CCC1
• Canonical SMILES: NCC1(CCC1)CC(C)C
• InChI: InChI=1S/C9H19N/c1-8(2)6-9(7-10)4-3-5-9/h8H,3-7,10H2,1-2H3
• InChIKey: ZHRQQVCBZULLAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpropyl)cyclobutyl]methanamine
• IUPAC Traditional name: [1-(2-methylpropyl)cyclobutyl]methanamine
• Synonyms: [1-(2-methylpropyl)cyclobutyl]methanamine; 1-(1-isobutylcyclobutyl)methanamine

Database IDs

• CAS Number: 1015846-36-2
• MDL Number: MFCD09971229
• PubChem SID: 164293253
• PubChem CID: 28064572

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.86120635
• LogD (pH = 7.4): -0.23942092
• Log P: 2.1538444
• Molar Refractivity: 44.6105 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.844

Product Information

• Purity: 95%