4-ethoxy-2,2,7,7-tetramethylazepane

C12H25NO — CID 122414797

IUPAC4-ethoxy-2,2,7,7-tetramethylazepane
SMILESCCOC1CCC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-6-14-10-7-8-11(2,3)13-12(4,5)9-10/h10,13H,6-9H2,1-5H3
InChIKeyPVGQDOFIMUYSLE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds2

About 4-ethoxy-2,2,7,7-tetramethylazepane

4-ethoxy-2,2,7,7-tetramethylazepane (PubChem CID 122414797) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-ethoxy-2,2,7,7-tetramethylazepane.

Molecular Properties

Compound Name4-ethoxy-2,2,7,7-tetramethylazepane
PubChem CID122414797
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-ethoxy-2,2,7,7-tetramethylazepane
SMILESCCOC1CCC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-6-14-10-7-8-11(2,3)13-12(4,5)9-10/h10,13H,6-9H2,1-5H3
InChIKeyPVGQDOFIMUYSLE-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,2,7,7-tetramethylazepane?
The IUPAC name of 4-ethoxy-2,2,7,7-tetramethylazepane (CID 122414797) is 4-ethoxy-2,2,7,7-tetramethylazepane.
What is the SMILES notation for 4-ethoxy-2,2,7,7-tetramethylazepane?
The canonical SMILES for 4-ethoxy-2,2,7,7-tetramethylazepane is CCOC1CCC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-ethoxy-2,2,7,7-tetramethylazepane?
The InChIKey is PVGQDOFIMUYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-14-10-7-8-11(2,3)13-12(4,5)9-10/h10,13H,6-9H2,1-5H3.
What are the key properties of 4-ethoxy-2,2,7,7-tetramethylazepane?
4-ethoxy-2,2,7,7-tetramethylazepane has a molecular weight of 199.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,2,7,7-tetramethylazepane is sourced from PubChem (CID 122414797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).