1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

C10H19F3N4O — CID 104886398

IUPAC1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)7-18-6-5-15-9(17-14)16-8-3-1-2-4-8/h8H,1-7,14H2,(H2,15,16,17)
InChIKeyGACIQTVQUASILB-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.92
Rot. Bonds5

About 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (PubChem CID 104886398) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
PubChem CID104886398
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)7-18-6-5-15-9(17-14)16-8-3-1-2-4-8/h8H,1-7,14H2,(H2,15,16,17)
InChIKeyGACIQTVQUASILB-UHFFFAOYSA-N
XLogP0.92
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine 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-Cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 62406048
1-Cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 103090729
1-Amino-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-3-cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885805
1-Amino-2-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886392
1-Amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886396
1-Amino-3-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886399
1-Amino-3-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886401
1-Amino-3-cyclopentyl-2-(2,2-difluoroethyl)guanidine
CID 104887790
1-Amino-3-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888054
1-Amino-2-(3-ethoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
CID 104888071
1-Amino-2-(3-methoxypropyl)-3-(5,5,5-trifluoropentyl)guanidine
CID 104888075

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (CID 104886398) is 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is NN/C(=N\CCOCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The InChIKey is GACIQTVQUASILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c11-10(12,13)7-18-6-5-15-9(17-14)16-8-3-1-2-4-8/h8H,1-7,14H2,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine has a molecular weight of 268.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 104886398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).