N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C14H23F3N4 — CID 107063738

IUPACN-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-3-18-13(8-12-9-21(2)20-19-12)10-5-4-6-11(7-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyYOPKQKNRYZYBAG-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 107063738) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID107063738
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-3-18-13(8-12-9-21(2)20-19-12)10-5-4-6-11(7-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyYOPKQKNRYZYBAG-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064052
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105175019
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066631
[1-(4-tert-butylcyclohexyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066160
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 107063738) is N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is CCNC(Cc1cn(C)nn1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is YOPKQKNRYZYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-3-18-13(8-12-9-21(2)20-19-12)10-5-4-6-11(7-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 107063738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).