1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine

C7H15F3N4 — CID 131209402

IUPAC1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine
SMILESCC(C)N/C(=N\C(C)C(F)(F)F)NN
InChIInChI=1S/C7H15F3N4/c1-4(2)12-6(14-11)13-5(3)7(8,9)10/h4-5H,11H2,1-3H3,(H2,12,13,14)
InChIKeyJACHQGDAEPQGDV-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.75
Rot. Bonds2

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

1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine (PubChem CID 131209402) has the molecular formula C7H15F3N4 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine
PubChem CID131209402
Molecular FormulaC7H15F3N4
Molecular Weight212.22 g/mol
Exact Mass212.12
IUPAC Name1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine
SMILESCC(C)N/C(=N\C(C)C(F)(F)F)NN
InChIInChI=1S/C7H15F3N4/c1-4(2)12-6(14-11)13-5(3)7(8,9)10/h4-5H,11H2,1-3H3,(H2,12,13,14)
InChIKeyJACHQGDAEPQGDV-UHFFFAOYSA-N
XLogP0.75
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
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 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine?
The IUPAC name of 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine (CID 131209402) is 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine?
The canonical SMILES for 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine is CC(C)N/C(=N\C(C)C(F)(F)F)NN.
What is the InChIKey of 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine?
The InChIKey is JACHQGDAEPQGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4/c1-4(2)12-6(14-11)13-5(3)7(8,9)10/h4-5H,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine?
1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine has a molecular weight of 212.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)guanidine is sourced from PubChem (CID 131209402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).