cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine

C25H34F3N5 — CID 163229561

IUPACcyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine
SMILESC1CCCCC1.C=C(N)c1ccnn1C(C)C.Cc1ccc2nc(C(F)(F)F)cc(N)c2c1
InChIInChI=1S/C11H9F3N2.C8H13N3.C6H12/c1-6-2-3-9-7(4-6)8(15)5-10(16-9)11(12,13)14;1-6(2)11-8(7(3)9)4-5-10-11;1-2-4-6-5-3-1/h2-5H,1H3,(H2,15,16);4-6H,3,9H2,1-2H3;1-6H2
InChIKeyHHXRANIGGHHODI-UHFFFAOYSA-N
MW461.58 g/mol
LogP6.88
Rot. Bonds2

About cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine

cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine (PubChem CID 163229561) has the molecular formula C25H34F3N5 and a molecular weight of 461.58 g/mol. Its IUPAC name is cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine.

Molecular Properties

Compound Namecyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine
PubChem CID163229561
Molecular FormulaC25H34F3N5
Molecular Weight461.58 g/mol
Exact Mass461.28
IUPAC Namecyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine
SMILESC1CCCCC1.C=C(N)c1ccnn1C(C)C.Cc1ccc2nc(C(F)(F)F)cc(N)c2c1
InChIInChI=1S/C11H9F3N2.C8H13N3.C6H12/c1-6-2-3-9-7(4-6)8(15)5-10(16-9)11(12,13)14;1-6(2)11-8(7(3)9)4-5-10-11;1-2-4-6-5-3-1/h2-5H,1H3,(H2,15,16);4-6H,3,9H2,1-2H3;1-6H2
InChIKeyHHXRANIGGHHODI-UHFFFAOYSA-N
XLogP6.88
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine?
The IUPAC name of cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine (CID 163229561) is cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine.
What is the SMILES notation for cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine?
The canonical SMILES for cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine is C1CCCCC1.C=C(N)c1ccnn1C(C)C.Cc1ccc2nc(C(F)(F)F)cc(N)c2c1.
What is the InChIKey of cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine?
The InChIKey is HHXRANIGGHHODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2.C8H13N3.C6H12/c1-6-2-3-9-7(4-6)8(15)5-10(16-9)11(12,13)14;1-6(2)11-8(7(3)9)4-5-10-11;1-2-4-6-5-3-1/h2-5H,1H3,(H2,15,16);4-6H,3,9H2,1-2H3;1-6H2.
What are the key properties of cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine?
cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine has a molecular weight of 461.58 g/mol, XLogP of 6.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine is sourced from PubChem (CID 163229561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).