1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O — CID 102639224

IUPAC1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCCCC1N
InChIInChI=1S/C10H18F3N3O/c1-16(8-5-3-2-4-7(8)14)9(17)15-6-10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeyJGSCLWYQJGLRLF-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.46
Rot. Bonds2

About 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 102639224) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID102639224
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCCCC1N
InChIInChI=1S/C10H18F3N3O/c1-16(8-5-3-2-4-7(8)14)9(17)15-6-10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17)
InChIKeyJGSCLWYQJGLRLF-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
1-methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
ethyl N-(2-aminocyclohexyl)-N-methylcarbamate
CID 102639245
N-(2-aminocyclopentyl)-N-methylacetamide
CID 166978021
N-(2-aminocyclohexyl)-N,2-dimethylpentanamide
CID 102639190
N-(2-aminocyclohexyl)-N-methyl-2-methylsulfonylacetamide
CID 102639130
N-(2-aminocyclohexyl)-2-methoxy-N,2-dimethylpropanamide
CID 103022604
N-methyl-N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958112
N-(2-aminocyclohexyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 102638959
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 102639224) is 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(C(=O)NCC(F)(F)F)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is JGSCLWYQJGLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16(8-5-3-2-4-7(8)14)9(17)15-6-10(11,12)13/h7-8H,2-6,14H2,1H3,(H,15,17).
What are the key properties of 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 102639224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).