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

C9H16F3N3O — CID 147779155

IUPAC3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)NC1CCC(N)C1
InChIInChI=1S/C9H16F3N3O/c1-15(5-9(10,11)12)8(16)14-7-3-2-6(13)4-7/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyHHLCMAGHGUIBTC-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.07
Rot. Bonds2

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

3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 147779155) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID147779155
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(=O)NC1CCC(N)C1
InChIInChI=1S/C9H16F3N3O/c1-15(5-9(10,11)12)8(16)14-7-3-2-6(13)4-7/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyHHLCMAGHGUIBTC-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-aminocyclopentyl)-1-methyl-1-(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-butyl-N'-cyclopentylurea
CID 4150224
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
(3,3-Difluorocyclopentyl)urea
CID 88975015
1-Hexan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348838
1-Pentan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348956
[(1R)-3,3-difluorocyclopentyl]urea
CID 140633335
3-(3-Aminocyclobutyl)-1-(4,4-difluorocyclohexyl)-1-methylurea
CID 153355537
(2S)-N-propan-2-yl-2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 172528815
N,N-dipentyl-N'-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]urea
CID 2836449
1-Piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 43604132
N'-Ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)urea
CID 43604134

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea (CID 147779155) is 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea is CN(CC(F)(F)F)C(=O)NC1CCC(N)C1.
What is the InChIKey of 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is HHLCMAGHGUIBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-15(5-9(10,11)12)8(16)14-7-3-2-6(13)4-7/h6-7H,2-5,13H2,1H3,(H,14,16).
What are the key properties of 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 239.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 147779155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).