3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile

C12H22N2O2 — CID 79928424

IUPAC3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile
SMILESCOCCNC1(C#N)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-8H2,1-5H3
InChIKeyBYVKZBIUTHVSFT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds4

About 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile

3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile (PubChem CID 79928424) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile
PubChem CID79928424
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile
SMILESCOCCNC1(C#N)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-8H2,1-5H3
InChIKeyBYVKZBIUTHVSFT-UHFFFAOYSA-N
XLogP1.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile?
The IUPAC name of 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile (CID 79928424) is 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile is COCCNC1(C#N)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile?
The InChIKey is BYVKZBIUTHVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-8H2,1-5H3.
What are the key properties of 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile?
3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-2,2,5,5-tetramethyloxolane-3-carbonitrile is sourced from PubChem (CID 79928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).