1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea

C10H20F3N3O — CID 116654742

IUPAC1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)C(CN(C)C)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-7(2)8(5-16(3)4)15-9(17)14-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15,17)
InChIKeyGEADFSUSYQBTJS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.43
Rot. Bonds5

About 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea

1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116654742) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID116654742
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)C(CN(C)C)NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-7(2)8(5-16(3)4)15-9(17)14-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15,17)
InChIKeyGEADFSUSYQBTJS-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,1-bis(trifluoromethyl)propyl]-N'-(sec-butyl)urea
CID 2836461
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468023
(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 71287734
1-Tert-butyl-3-(2,2-difluorobutyl)urea
CID 88582203
1-[(2R)-2-methylbutyl]-3-(2,2,2-trifluoroethyl)urea
CID 137434256
(3R)-3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498544
3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498559
(3R,4S)-3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498561
(3S,4S)-3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498623
(3S)-3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 138498636
1-(3,3-Difluorocyclobutyl)-1-methyl-3-(4-methylpentyl)urea
CID 153623506

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea (CID 116654742) is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea is CC(C)C(CN(C)C)NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GEADFSUSYQBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-7(2)8(5-16(3)4)15-9(17)14-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 255.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116654742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).