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

C7H15F3N4 — CID 104884159

IUPAC3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H15F3N4/c1-3-4-12-6(13-11)14(2)5-7(8,9)10/h3-5,11H2,1-2H3,(H,12,13)
InChIKeyVLTZEPWAWJWLMZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.71
Rot. Bonds3

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

3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884159) has the molecular formula C7H15F3N4 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884159
Molecular FormulaC7H15F3N4
Molecular Weight212.22 g/mol
Exact Mass212.12
IUPAC Name3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H15F3N4/c1-3-4-12-6(13-11)14(2)5-7(8,9)10/h3-5,11H2,1-2H3,(H,12,13)
InChIKeyVLTZEPWAWJWLMZ-UHFFFAOYSA-N
XLogP0.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.71
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

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
1-Amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
3-Amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104882312
1-Amino-3-(2,2-difluoroethyl)-2-methylguanidine
CID 104882385
3-Amino-1-(2,2-difluoroethyl)-1,2-dimethylguanidine
CID 104882497
1-Amino-3-propyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883042
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884159) is 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCC/N=C(\NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VLTZEPWAWJWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4/c1-3-4-12-6(13-11)14(2)5-7(8,9)10/h3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 212.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).