4-ethoxy-N,N-dimethyloxane-4-carboximidamide

C10H20N2O2 — CID 116780098

IUPAC4-ethoxy-N,N-dimethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(C)C)C1(OCC)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(9(11)12(2)3)5-7-13-8-6-10/h11H,4-8H2,1-3H3/b11-9-
InChIKeyNCJFKPWZXUMZEE-LUAWRHEFSA-N
MW200.28 g/mol
LogP1.11
Rot. Bonds3

About 4-ethoxy-N,N-dimethyloxane-4-carboximidamide

4-ethoxy-N,N-dimethyloxane-4-carboximidamide (PubChem CID 116780098) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethyloxane-4-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethyloxane-4-carboximidamide
PubChem CID116780098
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-ethoxy-N,N-dimethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(C)C)C1(OCC)CCOCC1
InChIInChI=1S/C10H20N2O2/c1-4-14-10(9(11)12(2)3)5-7-13-8-6-10/h11H,4-8H2,1-3H3/b11-9-
InChIKeyNCJFKPWZXUMZEE-LUAWRHEFSA-N
XLogP1.11
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethoxy-N,N-dimethyloxane-4-carboximidamide?
The IUPAC name of 4-ethoxy-N,N-dimethyloxane-4-carboximidamide (CID 116780098) is 4-ethoxy-N,N-dimethyloxane-4-carboximidamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethyloxane-4-carboximidamide?
The canonical SMILES for 4-ethoxy-N,N-dimethyloxane-4-carboximidamide is [H]/N=C(\N(C)C)C1(OCC)CCOCC1.
What is the InChIKey of 4-ethoxy-N,N-dimethyloxane-4-carboximidamide?
The InChIKey is NCJFKPWZXUMZEE-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-10(9(11)12(2)3)5-7-13-8-6-10/h11H,4-8H2,1-3H3/b11-9-.
What are the key properties of 4-ethoxy-N,N-dimethyloxane-4-carboximidamide?
4-ethoxy-N,N-dimethyloxane-4-carboximidamide has a molecular weight of 200.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethyloxane-4-carboximidamide is sourced from PubChem (CID 116780098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).