N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide

C10H15F3N4 — CID 174328324

IUPACN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide
SMILESC=N/C(=N\C=C(/C)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-8(10(11,12)13)7-16-9(14-2)17-5-3-15-4-6-17/h7,15H,2-6H2,1H3/b8-7+,16-9+
InChIKeyXUDMRKSXMDYAAH-BVQNTDGTSA-N
MW248.25 g/mol
LogP1.41
Rot. Bonds1

About N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide

N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide (PubChem CID 174328324) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide
PubChem CID174328324
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC NameN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide
SMILESC=N/C(=N\C=C(/C)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C10H15F3N4/c1-8(10(11,12)13)7-16-9(14-2)17-5-3-15-4-6-17/h7,15H,2-6H2,1H3/b8-7+,16-9+
InChIKeyXUDMRKSXMDYAAH-BVQNTDGTSA-N
XLogP1.41
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide?
The IUPAC name of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide (CID 174328324) is N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide?
The canonical SMILES for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide is C=N/C(=N\C=C(/C)C(F)(F)F)N1CCNCC1.
What is the InChIKey of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide?
The InChIKey is XUDMRKSXMDYAAH-BVQNTDGTSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-8(10(11,12)13)7-16-9(14-2)17-5-3-15-4-6-17/h7,15H,2-6H2,1H3/b8-7+,16-9+.
What are the key properties of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide?
N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide has a molecular weight of 248.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]piperazine-1-carboximidamide is sourced from PubChem (CID 174328324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).