2-[(diethylamino)methyl]cyclohexan-1-amine

• ChemBase ID: 235291
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: C1(CN(CC)CC)C(N)CCCC1
• Canonical SMILES: CCN(CC1CCCCC1N)CC
• InChI: InChI=1S/C11H24N2/c1-3-13(4-2)9-10-7-5-6-8-11(10)12/h10-11H,3-9,12H2,1-2H3
• InChIKey: BJHFVTGSIAZFIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(diethylamino)methyl]cyclohexan-1-amine
• IUPAC Traditional name: 2-[(diethylamino)methyl]cyclohexan-1-amine
• Synonyms: 2-[(diethylamino)methyl]cyclohexan-1-amine

Database IDs

• MDL Number: MFCD09035502
• PubChem SID: 164291201
• PubChem CID: 23009041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3613253
• LogD (pH = 7.4): -2.4030557
• Log P: 1.566025
• Molar Refractivity: 58.4585 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.521

Product Information

• Purity: 95%