N'-(2-ethoxyethyl)ethanimidamide

C6H14N2O — CID 63173013

IUPACN'-(2-ethoxyethyl)ethanimidamide
SMILESCCOCC/N=C(\C)N
InChIInChI=1S/C6H14N2O/c1-3-9-5-4-8-6(2)7/h3-5H2,1-2H3,(H2,7,8)
InChIKeyYPXJNLQFLYDUJC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.40
Rot. Bonds4

About N'-(2-ethoxyethyl)ethanimidamide

N'-(2-ethoxyethyl)ethanimidamide (PubChem CID 63173013) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)ethanimidamide
PubChem CID63173013
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN'-(2-ethoxyethyl)ethanimidamide
SMILESCCOCC/N=C(\C)N
InChIInChI=1S/C6H14N2O/c1-3-9-5-4-8-6(2)7/h3-5H2,1-2H3,(H2,7,8)
InChIKeyYPXJNLQFLYDUJC-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)ethanimidamide?
The IUPAC name of N'-(2-ethoxyethyl)ethanimidamide (CID 63173013) is N'-(2-ethoxyethyl)ethanimidamide.
What is the SMILES notation for N'-(2-ethoxyethyl)ethanimidamide?
The canonical SMILES for N'-(2-ethoxyethyl)ethanimidamide is CCOCC/N=C(\C)N.
What is the InChIKey of N'-(2-ethoxyethyl)ethanimidamide?
The InChIKey is YPXJNLQFLYDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-9-5-4-8-6(2)7/h3-5H2,1-2H3,(H2,7,8).
What are the key properties of N'-(2-ethoxyethyl)ethanimidamide?
N'-(2-ethoxyethyl)ethanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)ethanimidamide is sourced from PubChem (CID 63173013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).