N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

C12H22ClF3N2O — CID 119507185

IUPACN-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O.ClH/c1-2-16-6-7-17-11(18)9-4-3-5-10(8-9)12(13,14)15;/h9-10,16H,2-8H2,1H3,(H,17,18);1H
InChIKeyCYSJNCQZEYMBMC-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119507185) has the molecular formula C12H22ClF3N2O and a molecular weight of 302.77 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119507185
Molecular FormulaC12H22ClF3N2O
Molecular Weight302.77 g/mol
Exact Mass302.14
IUPAC NameN-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCC(C(F)(F)F)C1.Cl
InChIInChI=1S/C12H21F3N2O.ClH/c1-2-16-6-7-17-11(18)9-4-3-5-10(8-9)12(13,14)15;/h9-10,16H,2-8H2,1H3,(H,17,18);1H
InChIKeyCYSJNCQZEYMBMC-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
N-(3-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 111461165
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737763
N-(3-bromo-4-methoxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106244823
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119507185) is N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is CCNCCNC(=O)C1CCCC(C(F)(F)F)C1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CYSJNCQZEYMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O.ClH/c1-2-16-6-7-17-11(18)9-4-3-5-10(8-9)12(13,14)15;/h9-10,16H,2-8H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 302.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119507185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).