1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine

C13H23F3N4O — CID 120973851

IUPAC1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCC1
InChIInChI=1S/C13H23F3N4O/c14-13(15,16)11(20-5-7-21-8-6-20)9-18-12(17)19-10-3-1-2-4-10/h10-11H,1-9H2,(H3,17,18,19)
InChIKeyAILIPLLVLWJJCT-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.10
Rot. Bonds4

About 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine

1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine (PubChem CID 120973851) has the molecular formula C13H23F3N4O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
PubChem CID120973851
Molecular FormulaC13H23F3N4O
Molecular Weight308.35 g/mol
Exact Mass308.18
IUPAC Name1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCC1
InChIInChI=1S/C13H23F3N4O/c14-13(15,16)11(20-5-7-21-8-6-20)9-18-12(17)19-10-3-1-2-4-10/h10-11H,1-9H2,(H3,17,18,19)
InChIKeyAILIPLLVLWJJCT-UHFFFAOYSA-N
XLogP1.10
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine (CID 120973851) is 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine is N/C(=N\CC(N1CCOCC1)C(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is AILIPLLVLWJJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O/c14-13(15,16)11(20-5-7-21-8-6-20)9-18-12(17)19-10-3-1-2-4-10/h10-11H,1-9H2,(H3,17,18,19).
What are the key properties of 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine?
1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 308.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 120973851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).