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

C8H16F3N5 — CID 104882205

IUPACN-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N5/c1-13-7(14-12)16-4-2-15(3-5-16)6-8(9,10)11/h2-6,12H2,1H3,(H,13,14)
InChIKeyCNBHVVCSWQAOOY-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.38
Rot. Bonds1

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

N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 104882205) has the molecular formula C8H16F3N5 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID104882205
Molecular FormulaC8H16F3N5
Molecular Weight239.24 g/mol
Exact Mass239.14
IUPAC NameN-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H16F3N5/c1-13-7(14-12)16-4-2-15(3-5-16)6-8(9,10)11/h2-6,12H2,1H3,(H,13,14)
InChIKeyCNBHVVCSWQAOOY-UHFFFAOYSA-N
XLogP-0.38
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.38
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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Related Compounds

N,N,N'-trimethyl-N'-[3-(trifluoromethyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]ethane-1,2-diamine
CID 144561813
N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967433
N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967570
N'-propyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967571
3-Amino-1-ethyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104882056
3-Amino-2-butyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884432
3-Amino-1,2-diethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884434
3-Amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884435
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
N-amino-N'-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885929
N-amino-N'-(3-methoxypropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885932

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 104882205) is N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is C/N=C(\NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is CNBHVVCSWQAOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N5/c1-13-7(14-12)16-4-2-15(3-5-16)6-8(9,10)11/h2-6,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 239.24 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104882205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).