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

C8H17F3N4 — CID 104887042

IUPAC3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
SMILESCC(C)/N=C(/NN)N(C)CCC(F)(F)F
InChIInChI=1S/C8H17F3N4/c1-6(2)13-7(14-12)15(3)5-4-8(9,10)11/h6H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyGVTZYRNRFFONBE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.10
Rot. Bonds3

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

3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104887042) has the molecular formula C8H17F3N4 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
PubChem CID104887042
Molecular FormulaC8H17F3N4
Molecular Weight226.25 g/mol
Exact Mass226.14
IUPAC Name3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
SMILESCC(C)/N=C(/NN)N(C)CCC(F)(F)F
InChIInChI=1S/C8H17F3N4/c1-6(2)13-7(14-12)15(3)5-4-8(9,10)11/h6H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyGVTZYRNRFFONBE-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)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-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-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-(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
3-Amino-2-cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884161
3-Amino-1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884162
3-Amino-1-methyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884163

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine (CID 104887042) is 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine is CC(C)/N=C(/NN)N(C)CCC(F)(F)F.
What is the InChIKey of 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is GVTZYRNRFFONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4/c1-6(2)13-7(14-12)15(3)5-4-8(9,10)11/h6H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine?
3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 226.25 g/mol, XLogP of 1.10, 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-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104887042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).