3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C7H15F3N4 — CID 104882055

IUPAC3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H15F3N4/c1-5(2)14(4-7(8,9)10)6(12-3)13-11/h5H,4,11H2,1-3H3,(H,12,13)
InChIKeySGQATZGZOXYADB-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.71
Rot. Bonds2

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

3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104882055) has the molecular formula C7H15F3N4 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104882055
Molecular FormulaC7H15F3N4
Molecular Weight212.22 g/mol
Exact Mass212.12
IUPAC Name3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H15F3N4/c1-5(2)14(4-7(8,9)10)6(12-3)13-11/h5H,4,11H2,1-3H3,(H,12,13)
InChIKeySGQATZGZOXYADB-UHFFFAOYSA-N
XLogP0.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 104882055) is 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\NN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is SGQATZGZOXYADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4/c1-5(2)14(4-7(8,9)10)6(12-3)13-11/h5H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 212.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104882055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).