(cyclohexylmethyl)[2-(dimethylamino)ethyl]amine

• ChemBase ID: 262264
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N(CCNCC1CCCCC1)(C)C
• Canonical SMILES: CN(CCNCC1CCCCC1)C
• InChI: InChI=1S/C11H24N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h11-12H,3-10H2,1-2H3
• InChIKey: AZIAAHIRDOVXFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)[2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: (cyclohexylmethyl)[2-(dimethylamino)ethyl]amine
• Synonyms: (cyclohexylmethyl)[2-(dimethylamino)ethyl]amine

Database IDs

• MDL Number: MFCD08757016
• PubChem SID: 164318174
• PubChem CID: 16776440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4257703
• LogD (pH = 7.4): -0.90620655
• Log P: 1.9400493
• Molar Refractivity: 58.4575 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%