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

C10H18F3N3O — CID 107493788

IUPAC1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
SMILESNCCN(CC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-16(6-5-14)9(17)15-8-3-1-2-4-8/h8H,1-7,14H2,(H,15,17)
InChIKeyJBZYGACOJOPTJA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.46
Rot. Bonds4

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

1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 107493788) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID107493788
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
SMILESNCCN(CC(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-16(6-5-14)9(17)15-8-3-1-2-4-8/h8H,1-7,14H2,(H,15,17)
InChIKeyJBZYGACOJOPTJA-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134
2-[(3-methylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266181
N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493690
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea (CID 107493788) is 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea is NCCN(CC(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is JBZYGACOJOPTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-16(6-5-14)9(17)15-8-3-1-2-4-8/h8H,1-7,14H2,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea?
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 253.27 g/mol, XLogP of 1.46, 4 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 107493788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).