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

C7H13F3N4 — CID 104882058

IUPAC3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4/c1-12-6(13-11)14(5-2-3-5)4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyVHRBIBMGKOBYHH-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.46
Rot. Bonds2

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

3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104882058) has the molecular formula C7H13F3N4 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104882058
Molecular FormulaC7H13F3N4
Molecular Weight210.20 g/mol
Exact Mass210.11
IUPAC Name3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4/c1-12-6(13-11)14(5-2-3-5)4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyVHRBIBMGKOBYHH-UHFFFAOYSA-N
XLogP0.46
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.46
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'}

Analyze 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
1-Amino-3-cyclopropyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883048
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
3-Amino-2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884429

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104882058) is 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\NN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VHRBIBMGKOBYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4/c1-12-6(13-11)14(5-2-3-5)4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 210.20 g/mol, XLogP of 0.46, 2 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-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104882058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).