1-N,4-N-dimethylcyclohexane-1,4-diamine

• ChemBase ID: 242397
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N(C1CCC(NC)CC1)C
• Canonical SMILES: CNC1CCC(CC1)NC
• InChI: InChI=1S/C8H18N2/c1-9-7-3-5-8(10-2)6-4-7/h7-10H,3-6H2,1-2H3
• InChIKey: XDCMXOFKBHKHGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,4-N-dimethylcyclohexane-1,4-diamine
• IUPAC Traditional name: 1-N,4-N-dimethylcyclohexane-1,4-diamine
• Synonyms: 1-N,4-N-dimethylcyclohexane-1,4-diamine

Database IDs

• MDL Number: MFCD19218508
• PubChem SID: 164298307
• PubChem CID: 31819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.928704
• LogD (pH = 7.4): -5.377651
• Log P: 0.5453721
• Molar Refractivity: 43.8092 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.328

Product Information

• Purity: 95%