N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide

C12H14Cl2N2 — CID 54053602

IUPACN'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-8(2)12(15)16-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3,(H2,15,16)
InChIKeyLUQUPFWFWTUINI-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.98
Rot. Bonds3

About N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide

N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide (PubChem CID 54053602) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide
PubChem CID54053602
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC NameN'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-8(2)12(15)16-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3,(H2,15,16)
InChIKeyLUQUPFWFWTUINI-UHFFFAOYSA-N
XLogP3.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.98
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'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide?
The IUPAC name of N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide (CID 54053602) is N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide is CC(C)/C(N)=N\C=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide?
The InChIKey is LUQUPFWFWTUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-8(2)12(15)16-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3,(H2,15,16).
What are the key properties of N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide?
N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide has a molecular weight of 257.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide is sourced from PubChem (CID 54053602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).