2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine

C11H21F3N4 — CID 111066521

IUPAC2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
SMILESC=C(C)C/N=C(\N)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-9(2)7-17-10(15)16-5-4-6-18(3)8-11(12,13)14/h1,4-8H2,2-3H3,(H3,15,16,17)
InChIKeyAOFOHWSOWGNJNA-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.35
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine

2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine (PubChem CID 111066521) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
PubChem CID111066521
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
SMILESC=C(C)C/N=C(\N)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-9(2)7-17-10(15)16-5-4-6-18(3)8-11(12,13)14/h1,4-8H2,2-3H3,(H3,15,16,17)
InChIKeyAOFOHWSOWGNJNA-UHFFFAOYSA-N
XLogP1.35
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.35
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine 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-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 75533014
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-2-propylguanidine
CID 75532966
2-(2-methylprop-2-enyl)-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761549
2-(2-methylprop-2-enyl)-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761550
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982048
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 110982049
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065479
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111065480
2-(2-Methylpropyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111066457
2-(2-Methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066520
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800815

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine (CID 111066521) is 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine is C=C(C)C/N=C(\N)NCCCN(C)CC(F)(F)F.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The InChIKey is AOFOHWSOWGNJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-9(2)7-17-10(15)16-5-4-6-18(3)8-11(12,13)14/h1,4-8H2,2-3H3,(H3,15,16,17).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
2-(2-methylprop-2-enyl)-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine has a molecular weight of 266.31 g/mol, XLogP of 1.35, 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-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine is sourced from PubChem (CID 111066521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).