1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine

C14H27F3N4O — CID 109473995

IUPAC1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1CCCN1CCOC)NCCC(F)(F)F
InChIInChI=1S/C14H27F3N4O/c1-3-18-13(19-7-6-14(15,16)17)20-11-12-5-4-8-21(12)9-10-22-2/h12H,3-11H2,1-2H3,(H2,18,19,20)
InChIKeyRCGYPYWSRUPYLH-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.60
Rot. Bonds8

About 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine

1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473995) has the molecular formula C14H27F3N4O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473995
Molecular FormulaC14H27F3N4O
Molecular Weight324.39 g/mol
Exact Mass324.21
IUPAC Name1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CC1CCCN1CCOC)NCCC(F)(F)F
InChIInChI=1S/C14H27F3N4O/c1-3-18-13(19-7-6-14(15,16)17)20-11-12-5-4-8-21(12)9-10-22-2/h12H,3-11H2,1-2H3,(H2,18,19,20)
InChIKeyRCGYPYWSRUPYLH-UHFFFAOYSA-N
XLogP1.60
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377088
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377089
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378793
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378794
1-[2-[Cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471888
1-[2-[Cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471889
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472468
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472469
1-Ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109472985
1-[2-[2-Methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473508
1-[2-[2-Methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473509
1-Ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109473995) is 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CC1CCCN1CCOC)NCCC(F)(F)F.
What is the InChIKey of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is RCGYPYWSRUPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4O/c1-3-18-13(19-7-6-14(15,16)17)20-11-12-5-4-8-21(12)9-10-22-2/h12H,3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 324.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).