N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide

C9H13F3N2 — CID 162563508

IUPACN'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide
SMILESC/N=C/NC1=CC(C(F)(F)F)CCC1
InChIInChI=1S/C9H13F3N2/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyXYNHNGPYUCRNJG-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.48
Rot. Bonds2

About N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide

N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide (PubChem CID 162563508) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide
PubChem CID162563508
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC NameN'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide
SMILESC/N=C/NC1=CC(C(F)(F)F)CCC1
InChIInChI=1S/C9H13F3N2/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyXYNHNGPYUCRNJG-UHFFFAOYSA-N
XLogP2.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide (CID 162563508) is N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide is C/N=C/NC1=CC(C(F)(F)F)CCC1.
What is the InChIKey of N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide?
The InChIKey is XYNHNGPYUCRNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide?
N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide has a molecular weight of 206.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(trifluoromethyl)cyclohexen-1-yl]methanimidamide is sourced from PubChem (CID 162563508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).