3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine

C6H13F3N4 — CID 104882312

IUPAC3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NN)N(C)CCC(F)(F)F
InChIInChI=1S/C6H13F3N4/c1-11-5(12-10)13(2)4-3-6(7,8)9/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyOFHXUZJUAWKOIO-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.32
Rot. Bonds2

About 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine

3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104882312) has the molecular formula C6H13F3N4 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
PubChem CID104882312
Molecular FormulaC6H13F3N4
Molecular Weight198.19 g/mol
Exact Mass198.11
IUPAC Name3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NN)N(C)CCC(F)(F)F
InChIInChI=1S/C6H13F3N4/c1-11-5(12-10)13(2)4-3-6(7,8)9/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyOFHXUZJUAWKOIO-UHFFFAOYSA-N
XLogP0.32
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.32
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-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine (CID 104882312) is 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NN)N(C)CCC(F)(F)F.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is OFHXUZJUAWKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4/c1-11-5(12-10)13(2)4-3-6(7,8)9/h3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine?
3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 198.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104882312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).