N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C12H22F3N5 — CID 104885933

IUPACN-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N5/c13-12(14,15)9-19-5-7-20(8-6-19)11(18-16)17-10-3-1-2-4-10/h10H,1-9,16H2,(H,17,18)
InChIKeyXHWHHVZOFLVYKE-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.93
Rot. Bonds2

About N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 104885933) has the molecular formula C12H22F3N5 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID104885933
Molecular FormulaC12H22F3N5
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC NameN-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N5/c13-12(14,15)9-19-5-7-20(8-6-19)11(18-16)17-10-3-1-2-4-10/h10H,1-9,16H2,(H,17,18)
InChIKeyXHWHHVZOFLVYKE-UHFFFAOYSA-N
XLogP0.93
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 104885933) is N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is NN/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is XHWHHVZOFLVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N5/c13-12(14,15)9-19-5-7-20(8-6-19)11(18-16)17-10-3-1-2-4-10/h10H,1-9,16H2,(H,17,18).
What are the key properties of N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 293.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104885933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).