N'-chloro-2,2-diethoxyethanimidamide

C6H13ClN2O2 — CID 89176144

IUPACN'-chloro-2,2-diethoxyethanimidamide
SMILESCCOC(OCC)/C(N)=N/Cl
InChIInChI=1S/C6H13ClN2O2/c1-3-10-6(11-4-2)5(8)9-7/h6H,3-4H2,1-2H3,(H2,8,9)
InChIKeySPQMAHCXHPLIOQ-UHFFFAOYSA-N
MW180.63 g/mol
LogP0.90
Rot. Bonds5

About N'-chloro-2,2-diethoxyethanimidamide

N'-chloro-2,2-diethoxyethanimidamide (PubChem CID 89176144) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is N'-chloro-2,2-diethoxyethanimidamide.

Molecular Properties

Compound NameN'-chloro-2,2-diethoxyethanimidamide
PubChem CID89176144
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC NameN'-chloro-2,2-diethoxyethanimidamide
SMILESCCOC(OCC)/C(N)=N/Cl
InChIInChI=1S/C6H13ClN2O2/c1-3-10-6(11-4-2)5(8)9-7/h6H,3-4H2,1-2H3,(H2,8,9)
InChIKeySPQMAHCXHPLIOQ-UHFFFAOYSA-N
XLogP0.90
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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'-chloro-2,2-diethoxyethanimidamide?
The IUPAC name of N'-chloro-2,2-diethoxyethanimidamide (CID 89176144) is N'-chloro-2,2-diethoxyethanimidamide.
What is the SMILES notation for N'-chloro-2,2-diethoxyethanimidamide?
The canonical SMILES for N'-chloro-2,2-diethoxyethanimidamide is CCOC(OCC)/C(N)=N/Cl.
What is the InChIKey of N'-chloro-2,2-diethoxyethanimidamide?
The InChIKey is SPQMAHCXHPLIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O2/c1-3-10-6(11-4-2)5(8)9-7/h6H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-chloro-2,2-diethoxyethanimidamide?
N'-chloro-2,2-diethoxyethanimidamide has a molecular weight of 180.63 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-2,2-diethoxyethanimidamide is sourced from PubChem (CID 89176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).