[3-(cyclohexylamino)propyl](ethyl)amine

• ChemBase ID: 24459
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N(C1CCCCC1)CCCNCC
• Canonical SMILES: CCNCCCNC1CCCCC1
• InChI: InChI=1S/C11H24N2/c1-2-12-9-6-10-13-11-7-4-3-5-8-11/h11-13H,2-10H2,1H3
• InChIKey: YOFALYLASSEFDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclohexylamino)propyl](ethyl)amine
• IUPAC Traditional name: [3-(cyclohexylamino)propyl](ethyl)amine
• Synonyms: N1-Cyclohexyl-N3-ethyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687346
• PubChem SID: 160987766
• PubChem CID: 11458103

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.53986
• LogD (pH = 7.4): -2.8257093
• Log P: 1.6587564
• Molar Refractivity: 58.046 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false