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

C11H21F3N4 — CID 110030245

IUPAC1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
SMILESCN(CCC/N=C(\N)N(C)C1CC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-17(8-11(12,13)14)7-3-6-16-10(15)18(2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,15,16)
InChIKeyJSYMVXXRHVWVSN-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.28
Rot. Bonds6

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

1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine (PubChem CID 110030245) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
PubChem CID110030245
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
SMILESCN(CCC/N=C(\N)N(C)C1CC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-17(8-11(12,13)14)7-3-6-16-10(15)18(2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,15,16)
InChIKeyJSYMVXXRHVWVSN-UHFFFAOYSA-N
XLogP1.28
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
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'}

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Related Compounds

N'-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494482
N'-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 172802163
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Cyclopropyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362807
2-Cyclopropyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363433
1-Cyclopropyl-2-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363901
1-Cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364119
1-Cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364120
1,2-Dicyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364121
2-Tert-butyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364122
1-Cyclopropyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364341

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine (CID 110030245) is 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine is CN(CCC/N=C(\N)N(C)C1CC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
The InChIKey is JSYMVXXRHVWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-17(8-11(12,13)14)7-3-6-16-10(15)18(2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine?
1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine has a molecular weight of 266.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine is sourced from PubChem (CID 110030245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).