4-ethoxy-N,N-diethyloxane-4-carboximidamide

C12H24N2O2 — CID 116780118

IUPAC4-ethoxy-N,N-diethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(OCC)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)11(13)12(16-6-3)7-9-15-10-8-12/h13H,4-10H2,1-3H3/b13-11-
InChIKeyKZOZGCNBWVBLSH-QBFSEMIESA-N
MW228.34 g/mol
LogP1.89
Rot. Bonds5

About 4-ethoxy-N,N-diethyloxane-4-carboximidamide

4-ethoxy-N,N-diethyloxane-4-carboximidamide (PubChem CID 116780118) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-ethoxy-N,N-diethyloxane-4-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N,N-diethyloxane-4-carboximidamide
PubChem CID116780118
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-ethoxy-N,N-diethyloxane-4-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(OCC)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)11(13)12(16-6-3)7-9-15-10-8-12/h13H,4-10H2,1-3H3/b13-11-
InChIKeyKZOZGCNBWVBLSH-QBFSEMIESA-N
XLogP1.89
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.89
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-diethyloxane-4-carboximidamide?
The IUPAC name of 4-ethoxy-N,N-diethyloxane-4-carboximidamide (CID 116780118) is 4-ethoxy-N,N-diethyloxane-4-carboximidamide.
What is the SMILES notation for 4-ethoxy-N,N-diethyloxane-4-carboximidamide?
The canonical SMILES for 4-ethoxy-N,N-diethyloxane-4-carboximidamide is [H]/N=C(\N(CC)CC)C1(OCC)CCOCC1.
What is the InChIKey of 4-ethoxy-N,N-diethyloxane-4-carboximidamide?
The InChIKey is KZOZGCNBWVBLSH-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(5-2)11(13)12(16-6-3)7-9-15-10-8-12/h13H,4-10H2,1-3H3/b13-11-.
What are the key properties of 4-ethoxy-N,N-diethyloxane-4-carboximidamide?
4-ethoxy-N,N-diethyloxane-4-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-diethyloxane-4-carboximidamide is sourced from PubChem (CID 116780118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).