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

C8H17F3N4 — CID 104884435

IUPAC3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\NN)N(CC)CC(F)(F)F
InChIInChI=1S/C8H17F3N4/c1-3-5-13-7(14-12)15(4-2)6-8(9,10)11/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyWXDSYWBTQQPZSF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.10
Rot. Bonds4

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

3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884435) has the molecular formula C8H17F3N4 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884435
Molecular FormulaC8H17F3N4
Molecular Weight226.25 g/mol
Exact Mass226.14
IUPAC Name3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\NN)N(CC)CC(F)(F)F
InChIInChI=1S/C8H17F3N4/c1-3-5-13-7(14-12)15(4-2)6-8(9,10)11/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyWXDSYWBTQQPZSF-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.10
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

N,N,N'-trimethyl-N'-[3-(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]ethane-1,2-diamine
CID 144561813
3-Amino-1,2-dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882030
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
N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104882205
3-Amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104882312
3-Amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
CID 104882497
3-Amino-2-butyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884156
3-Amino-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884158
3-Amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884159

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884435) is 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCC/N=C(\NN)N(CC)CC(F)(F)F.
What is the InChIKey of 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is WXDSYWBTQQPZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4/c1-3-5-13-7(14-12)15(4-2)6-8(9,10)11/h3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 226.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).