3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

C10H18F3N3O — CID 54997066

IUPAC3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-16(8-1-2-8)4-3-9(14)15/h8H,1-7H2,(H3,14,15)
InChIKeyCGTAOWRORHBVRX-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.36
Rot. Bonds8

About 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (PubChem CID 54997066) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
PubChem CID54997066
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-16(8-1-2-8)4-3-9(14)15/h8H,1-7H2,(H3,14,15)
InChIKeyCGTAOWRORHBVRX-UHFFFAOYSA-N
XLogP1.36
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide 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 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (CID 54997066) is 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(CCOCC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The InChIKey is CGTAOWRORHBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-16(8-1-2-8)4-3-9(14)15/h8H,1-7H2,(H3,14,15).
What are the key properties of 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 54997066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).