3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine

C8H15F3N4 — CID 104884456

IUPAC3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H15F3N4/c1-2-13-7(14-12)15(6-3-4-6)5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyYYHQCYBLROJFSA-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.85
Rot. Bonds3

About 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884456) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884456
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Name3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H15F3N4/c1-2-13-7(14-12)15(6-3-4-6)5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyYYHQCYBLROJFSA-UHFFFAOYSA-N
XLogP0.85
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

1-Cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363901
3-Amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882055
3-Amino-1-ethyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882056
3-Amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882058
3-Amino-2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882060
3-Amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104882312
3-Amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884159
3-Amino-1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884162
3-Amino-2-cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884164
3-Amino-2-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884424
3-Amino-1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884425
3-Amino-1,2-di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884428

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884456) is 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine is CC/N=C(\NN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is YYHQCYBLROJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c1-2-13-7(14-12)15(6-3-4-6)5-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 224.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).