1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea

C10H19F2N3O — CID 107493756

IUPAC1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea
SMILESNCCN(CC(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H19F2N3O/c11-9(12)7-15(6-5-13)10(16)14-8-3-1-2-4-8/h8-9H,1-7,13H2,(H,14,16)
InChIKeyBCJUVOSJGQNDPB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.16
Rot. Bonds5

About 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea

1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea (PubChem CID 107493756) has the molecular formula C10H19F2N3O and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea
PubChem CID107493756
Molecular FormulaC10H19F2N3O
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea
SMILESNCCN(CC(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H19F2N3O/c11-9(12)7-15(6-5-13)10(16)14-8-3-1-2-4-8/h8-9H,1-7,13H2,(H,14,16)
InChIKeyBCJUVOSJGQNDPB-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
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
N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide
CID 67991711
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
4-(3,3,3-Trifluoropropyl)imidazolidin-2-one
CID 86720187

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea (CID 107493756) is 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea is NCCN(CC(F)F)C(=O)NC1CCCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea?
The InChIKey is BCJUVOSJGQNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O/c11-9(12)7-15(6-5-13)10(16)14-8-3-1-2-4-8/h8-9H,1-7,13H2,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea?
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea has a molecular weight of 235.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2-difluoroethyl)urea is sourced from PubChem (CID 107493756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).