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

C13H24F3N5 — CID 104885931

IUPACN-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N5/c14-13(15,16)10-20-6-8-21(9-7-20)12(19-17)18-11-4-2-1-3-5-11/h11H,1-10,17H2,(H,18,19)
InChIKeyCJRYIUPUXZDILY-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.32
Rot. Bonds2

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

N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 104885931) has the molecular formula C13H24F3N5 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID104885931
Molecular FormulaC13H24F3N5
Molecular Weight307.36 g/mol
Exact Mass307.20
IUPAC NameN-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESNN/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N5/c14-13(15,16)10-20-6-8-21(9-7-20)12(19-17)18-11-4-2-1-3-5-11/h11H,1-10,17H2,(H,18,19)
InChIKeyCJRYIUPUXZDILY-UHFFFAOYSA-N
XLogP1.32
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.32
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'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967430
3-Amino-2-cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884426
3-Amino-2-cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884458
3-Amino-2-cyclohexyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884479
N-amino-N'-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885929
N-amino-N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885933
N-amino-N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885934
3-Amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
N-amino-N'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887067
N-amino-N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887097
3-Amino-2-cyclohexyl-1-(2,2-difluoroethyl)-1-methylguanidine
CID 104888978
3-Amino-2-cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530141

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 104885931) is N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is NN/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is CJRYIUPUXZDILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N5/c14-13(15,16)10-20-6-8-21(9-7-20)12(19-17)18-11-4-2-1-3-5-11/h11H,1-10,17H2,(H,18,19).
What are the key properties of N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 307.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104885931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).