2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide

C10H19F3IN3O — CID 111057739

IUPAC2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCOCC(F)(F)F.I
InChIInChI=1S/C10H18F3N3O.HI/c1-8(2)6-16-9(14)15-4-3-5-17-7-10(11,12)13;/h1,3-7H2,2H3,(H3,14,15,16);1H
InChIKeyBWWGFMAPEHFMKY-UHFFFAOYSA-N
MW381.18 g/mol
LogP2.05
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide (PubChem CID 111057739) has the molecular formula C10H19F3IN3O and a molecular weight of 381.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
PubChem CID111057739
Molecular FormulaC10H19F3IN3O
Molecular Weight381.18 g/mol
Exact Mass381.05
IUPAC Name2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCOCC(F)(F)F.I
InChIInChI=1S/C10H18F3N3O.HI/c1-8(2)6-16-9(14)15-4-3-5-17-7-10(11,12)13;/h1,3-7H2,2H3,(H3,14,15,16);1H
InChIKeyBWWGFMAPEHFMKY-UHFFFAOYSA-N
XLogP2.05
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide 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

1-Butyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 75532857
1,2-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110914979
2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110980292
2-Methyl-1-prop-2-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110980293
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057669
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057670
2-(2-Methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057675
2-(2-Methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057676
1-(3-Ethoxypropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057695
2-(2-Methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057740
1-Ethyl-2-(2-methylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111178501
2-Methyl-1-(2-methylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111178891

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide (CID 111057739) is 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCCOCC(F)(F)F.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide?
The InChIKey is BWWGFMAPEHFMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O.HI/c1-8(2)6-16-9(14)15-4-3-5-17-7-10(11,12)13;/h1,3-7H2,2H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide has a molecular weight of 381.18 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111057739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).