1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine

C13H23F3N4 — CID 62313996

IUPAC1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CCCC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)9-20-6-5-10(8-20)7-18-12(17)19-11-3-1-2-4-11/h10-11H,1-9H2,(H3,17,18,19)
InChIKeyOQROWCUWWNQMNX-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine

1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine (PubChem CID 62313996) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
PubChem CID62313996
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESN/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CCCC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)9-20-6-5-10(8-20)7-18-12(17)19-11-3-1-2-4-11/h10-11H,1-9H2,(H3,17,18,19)
InChIKeyOQROWCUWWNQMNX-UHFFFAOYSA-N
XLogP1.72
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine (CID 62313996) is 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine is N/C(=N\CC1CCN(CC(F)(F)F)C1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
The InChIKey is OQROWCUWWNQMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c14-13(15,16)9-20-6-5-10(8-20)7-18-12(17)19-11-3-1-2-4-11/h10-11H,1-9H2,(H3,17,18,19).
What are the key properties of 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine?
1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine has a molecular weight of 292.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine is sourced from PubChem (CID 62313996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).