N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide

C9H17F3N4 — CID 104887065

IUPACN-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N4/c1-2-14-8(15-13)16-5-3-4-7(6-16)9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyBXBPQQJIHJTUFI-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.10
Rot. Bonds1

About N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887065) has the molecular formula C9H17F3N4 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887065
Molecular FormulaC9H17F3N4
Molecular Weight238.26 g/mol
Exact Mass238.14
IUPAC NameN-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N4/c1-2-14-8(15-13)16-5-3-4-7(6-16)9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyBXBPQQJIHJTUFI-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538272
N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538460
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882315
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
3-Amino-2-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
N-amino-N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885935
N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887067
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887065) is N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide is CC/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is BXBPQQJIHJTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4/c1-2-14-8(15-13)16-5-3-4-7(6-16)9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 238.26 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).