3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine

C8H18F2N4 — CID 104888982

IUPAC3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C8H18F2N4/c1-6(2)4-12-8(13-11)14(3)5-7(9)10/h6-7H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJOZYUHXVTQWMME-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine

3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 104888982) has the molecular formula C8H18F2N4 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID104888982
Molecular FormulaC8H18F2N4
Molecular Weight208.26 g/mol
Exact Mass208.15
IUPAC Name3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C8H18F2N4/c1-6(2)4-12-8(13-11)14(3)5-7(9)10/h6-7H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJOZYUHXVTQWMME-UHFFFAOYSA-N
XLogP0.66
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
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-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)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-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
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-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
3-Amino-2-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884424

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine (CID 104888982) is 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine is CC(C)C/N=C(/NN)N(C)CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is JOZYUHXVTQWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N4/c1-6(2)4-12-8(13-11)14(3)5-7(9)10/h6-7H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine?
3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 208.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104888982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).