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

C9H16F3N3O — CID 106124916

IUPAC1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESNC1CCC(CNC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)5-15-8(16)14-4-6-1-2-7(13)3-6/h6-7H,1-5,13H2,(H2,14,15,16)
InChIKeyVCMICDZHWGBNGD-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.98
Rot. Bonds3

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

1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 106124916) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID106124916
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESNC1CCC(CNC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)5-15-8(16)14-4-6-1-2-7(13)3-6/h6-7H,1-5,13H2,(H2,14,15,16)
InChIKeyVCMICDZHWGBNGD-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(3-aminocyclopentyl)methyl]-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

1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
1-(cyclopentylmethyl)-3-[(1S)-1-cyclopropylethyl]urea
CID 96471073
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-Methyl-3-(3-propan-2-ylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 58395206
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
3-(3-Tert-butylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260788
1-(2-Fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 88976832
1-(2-Fluoroethyl)-3-(3-methylcyclopentyl)urea
CID 89139721
1-(2,3-Dimethylcyclopentyl)-3-(2-fluoroethyl)urea
CID 89139725
1-(Cyclohexylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115575969
1-(Cyclopentylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115579831

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 106124916) is 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is NC1CCC(CNC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VCMICDZHWGBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)5-15-8(16)14-4-6-1-2-7(13)3-6/h6-7H,1-5,13H2,(H2,14,15,16).
What are the key properties of 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 239.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclopentyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 106124916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).