N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride

C9H11Cl3N2 — CID 12678020

IUPACN'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride
SMILESCN(C)/C=N/c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C9H10Cl2N2.ClH/c1-13(2)6-12-9-7(10)4-3-5-8(9)11;/h3-6H,1-2H3;1H/b12-6+;
InChIKeyATSBJFXETMRTMV-WXIWBVQFSA-N
MW253.56 g/mol
LogP3.64
Rot. Bonds2

About N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride

N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride (PubChem CID 12678020) has the molecular formula C9H11Cl3N2 and a molecular weight of 253.56 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride
PubChem CID12678020
Molecular FormulaC9H11Cl3N2
Molecular Weight253.56 g/mol
Exact Mass252.00
IUPAC NameN'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride
SMILESCN(C)/C=N/c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C9H10Cl2N2.ClH/c1-13(2)6-12-9-7(10)4-3-5-8(9)11;/h3-6H,1-2H3;1H/b12-6+;
InChIKeyATSBJFXETMRTMV-WXIWBVQFSA-N
XLogP3.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
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'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride?
The IUPAC name of N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride (CID 12678020) is N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride is CN(C)/C=N/c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride?
The InChIKey is ATSBJFXETMRTMV-WXIWBVQFSA-N. The full InChI is InChI=1S/C9H10Cl2N2.ClH/c1-13(2)6-12-9-7(10)4-3-5-8(9)11;/h3-6H,1-2H3;1H/b12-6+;.
What are the key properties of N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride?
N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride has a molecular weight of 253.56 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride is sourced from PubChem (CID 12678020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).