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

C10H19F3N4 — CID 111803220

IUPAC2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N4/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)
InChIKeyYMHKCRYWPFMZMI-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.96
Rot. Bonds6

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

2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (PubChem CID 111803220) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
PubChem CID111803220
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N4/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)
InChIKeyYMHKCRYWPFMZMI-UHFFFAOYSA-N
XLogP0.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.96
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (CID 111803220) is 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is C=C(C)C/N=C(\N)NCCN(C)CC(F)(F)F.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The InChIKey is YMHKCRYWPFMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/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).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
2-(2-methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine has a molecular weight of 252.28 g/mol, XLogP of 0.96, 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 is sourced from PubChem (CID 111803220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).