[2-(cyclohexylamino)ethyl](ethyl)amine

• ChemBase ID: 51104
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N(C1CCCCC1)CCNCC
• Canonical SMILES: CCNCCNC1CCCCC1
• InChI: InChI=1S/C10H22N2/c1-2-11-8-9-12-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3
• InChIKey: YVWCJMITLSXEQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohexylamino)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(cyclohexylamino)ethyl](ethyl)amine
• Synonyms: N-Cyclohexyl-N'-ethyl-1,2-ethanediamine

Database IDs

• MDL Number: MFCD07370015
• PubChem SID: 162055867
• PubChem CID: 7171944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2926605
• LogD (pH = 7.4): -1.2029604
• Log P: 1.5987966
• Molar Refractivity: 53.1806 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false