3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride

C7H15ClF3N5 — CID 88835805

IUPAC3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
SMILESCC/N=C(/N=C(N)N)N(C)CC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N5.ClH/c1-3-13-6(14-5(11)12)15(2)4-7(8,9)10;/h3-4H2,1-2H3,(H4,11,12,13,14);1H
InChIKeyBOAYPMKORCKHPS-UHFFFAOYSA-N
MW261.68 g/mol
LogP0.55
Rot. Bonds2

About 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride

3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride (PubChem CID 88835805) has the molecular formula C7H15ClF3N5 and a molecular weight of 261.68 g/mol. Its IUPAC name is 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
PubChem CID88835805
Molecular FormulaC7H15ClF3N5
Molecular Weight261.68 g/mol
Exact Mass261.10
IUPAC Name3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
SMILESCC/N=C(/N=C(N)N)N(C)CC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N5.ClH/c1-3-13-6(14-5(11)12)15(2)4-7(8,9)10;/h3-4H2,1-2H3,(H4,11,12,13,14);1H
InChIKeyBOAYPMKORCKHPS-UHFFFAOYSA-N
XLogP0.55
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride 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 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride?
The IUPAC name of 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride (CID 88835805) is 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride.
What is the SMILES notation for 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride?
The canonical SMILES for 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride is CC/N=C(/N=C(N)N)N(C)CC(F)(F)F.Cl.
What is the InChIKey of 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride?
The InChIKey is BOAYPMKORCKHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5.ClH/c1-3-13-6(14-5(11)12)15(2)4-7(8,9)10;/h3-4H2,1-2H3,(H4,11,12,13,14);1H.
What are the key properties of 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride?
3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride has a molecular weight of 261.68 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride is sourced from PubChem (CID 88835805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).