ethane;N'-(2-ethoxyethoxy)ethanimidamide

C8H20N2O2 — CID 144988529

IUPACethane;N'-(2-ethoxyethoxy)ethanimidamide
SMILESCC.CCOCCO/N=C(/C)N
InChIInChI=1S/C6H14N2O2.C2H6/c1-3-9-4-5-10-8-6(2)7;1-2/h3-5H2,1-2H3,(H2,7,8);1-2H3
InChIKeyJRMJOEMQURVZIJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.36
Rot. Bonds5

About ethane;N'-(2-ethoxyethoxy)ethanimidamide

ethane;N'-(2-ethoxyethoxy)ethanimidamide (PubChem CID 144988529) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;N'-(2-ethoxyethoxy)ethanimidamide.

Molecular Properties

Compound Nameethane;N'-(2-ethoxyethoxy)ethanimidamide
PubChem CID144988529
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Nameethane;N'-(2-ethoxyethoxy)ethanimidamide
SMILESCC.CCOCCO/N=C(/C)N
InChIInChI=1S/C6H14N2O2.C2H6/c1-3-9-4-5-10-8-6(2)7;1-2/h3-5H2,1-2H3,(H2,7,8);1-2H3
InChIKeyJRMJOEMQURVZIJ-UHFFFAOYSA-N
XLogP1.36
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-ethoxyethoxy)ethanimidamide?
The IUPAC name of ethane;N'-(2-ethoxyethoxy)ethanimidamide (CID 144988529) is ethane;N'-(2-ethoxyethoxy)ethanimidamide.
What is the SMILES notation for ethane;N'-(2-ethoxyethoxy)ethanimidamide?
The canonical SMILES for ethane;N'-(2-ethoxyethoxy)ethanimidamide is CC.CCOCCO/N=C(/C)N.
What is the InChIKey of ethane;N'-(2-ethoxyethoxy)ethanimidamide?
The InChIKey is JRMJOEMQURVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H6/c1-3-9-4-5-10-8-6(2)7;1-2/h3-5H2,1-2H3,(H2,7,8);1-2H3.
What are the key properties of ethane;N'-(2-ethoxyethoxy)ethanimidamide?
ethane;N'-(2-ethoxyethoxy)ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-ethoxyethoxy)ethanimidamide is sourced from PubChem (CID 144988529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).