1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea

C11H20F3N3O — CID 115613517

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCNC(=O)NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H20F3N3O/c1-17(9-4-2-3-5-9)7-6-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18)
InChIKeyZXJODNYXZQGUDP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115613517) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID115613517
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCNC(=O)NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H20F3N3O/c1-17(9-4-2-3-5-9)7-6-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18)
InChIKeyZXJODNYXZQGUDP-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
CID 17180342
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
1,1-diethyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 97786807
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
CID 126768727
1-Cyclopentyl-3-(trifluoromethyl)urea
CID 21511698
1-methyl-3-[(2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]urea
CID 66581418
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 115613517) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea is CN(CCNC(=O)NCC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZXJODNYXZQGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-17(9-4-2-3-5-9)7-6-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115613517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).