2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

C7H14F3N3 — CID 62358422

IUPAC2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/C
InChIInChI=1S/C7H14F3N3/c1-3-4-13(6(11)12-2)5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12)
InChIKeyKQIFIYWCBHLOOT-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62358422) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62358422
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(N)=N/C
InChIInChI=1S/C7H14F3N3/c1-3-4-13(6(11)12-2)5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12)
InChIKeyKQIFIYWCBHLOOT-UHFFFAOYSA-N
XLogP1.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)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 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 62358422) is 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCCN(CC(F)(F)F)/C(N)=N/C.
What is the InChIKey of 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is KQIFIYWCBHLOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-3-4-13(6(11)12-2)5-7(8,9)10/h3-5H2,1-2H3,(H2,11,12).
What are the key properties of 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 197.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62358422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).