2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide

C10H20F3IN4 — CID 111803219

IUPAC2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F.I
InChIInChI=1S/C10H19F3N4.HI/c1-8(2)6-16-9(14)15-4-5-17(3)7-10(11,12)13;/h1,4-7H2,2-3H3,(H3,14,15,16);1H
InChIKeyYRVLYCOVSSLXQI-UHFFFAOYSA-N
MW380.20 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 111803219) has the molecular formula C10H20F3IN4 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
PubChem CID111803219
Molecular FormulaC10H20F3IN4
Molecular Weight380.20 g/mol
Exact Mass380.07
IUPAC Name2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F.I
InChIInChI=1S/C10H19F3N4.HI/c1-8(2)6-16-9(14)15-4-5-17(3)7-10(11,12)13;/h1,4-7H2,2-3H3,(H3,14,15,16);1H
InChIKeyYRVLYCOVSSLXQI-UHFFFAOYSA-N
XLogP1.58
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 75533013
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-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111066521
2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800815
2-(2-Methylpropyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803185
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803220
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136926188
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine
CID 136926189
1-[2-(Diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111022726
1-[2-(Diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111022727
1-[2-[Di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111026324
1-[2-[Di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111026325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide (CID 111803219) is 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is YRVLYCOVSSLXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4.HI/c1-8(2)6-16-9(14)15-4-5-17(3)7-10(11,12)13;/h1,4-7H2,2-3H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 380.20 g/mol, XLogP of 1.58, 6 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-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111803219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).