2,2,4,4-tetramethylcyclobutane-1,3-diamine

• ChemBase ID: 286193
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1(C(C(C1N)(C)C)N)(C)C
• Canonical SMILES: NC1C(C)(C)C(C1(C)C)N
• InChI: InChI=1S/C8H18N2/c1-7(2)5(9)8(3,4)6(7)10/h5-6H,9-10H2,1-4H3
• InChIKey: QWEVGNOJPHTVEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4-tetramethylcyclobutane-1,3-diamine
• IUPAC Traditional name: 2,2,4,4-tetramethylcyclobutane-1,3-diamine
• Synonyms: 2,2,4,4-tetramethylcyclobutane-1,3-diamine

Database IDs

• MDL Number: MFCD01734193
• PubChem SID: 180671724
• PubChem CID: 24152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.855211
• LogD (pH = 7.4): -2.5735781
• Log P: 0.5888363
• Molar Refractivity: 42.4894 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.338

Product Information

• Purity: 95%