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

• ChemBase ID: 262497
• Molecular Formular: C11H25ClN2
• Molecular Mass: 220.7826
• Monoisotopic Mass: 220.17062649
• SMILES: N(CCNCC1CCCCC1)(C)C.Cl
• Canonical SMILES: CN(CCNCC1CCCCC1)C.Cl
• InChI: InChI=1S/C11H24N2.ClH/c1-13(2)9-8-12-10-11-6-4-3-5-7-11;/h11-12H,3-10H2,1-2H3;1H
• InChIKey: UFIOSDQBZTYMML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913181
• PubChem SID: 164318407
• PubChem CID: 45792096

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

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%