3-ethyl-2-(2-methylbutan-2-yl)oxaziridine

C8H17NO — CID 21280122

IUPAC3-ethyl-2-(2-methylbutan-2-yl)oxaziridine
SMILESCCC1ON1C(C)(C)CC
InChIInChI=1S/C8H17NO/c1-5-7-9(10-7)8(3,4)6-2/h7H,5-6H2,1-4H3
InChIKeyDJFJQEGFZWOSNI-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.16
Rot. Bonds3

About 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine

3-ethyl-2-(2-methylbutan-2-yl)oxaziridine (PubChem CID 21280122) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine.

Molecular Properties

Compound Name3-ethyl-2-(2-methylbutan-2-yl)oxaziridine
PubChem CID21280122
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-ethyl-2-(2-methylbutan-2-yl)oxaziridine
SMILESCCC1ON1C(C)(C)CC
InChIInChI=1S/C8H17NO/c1-5-7-9(10-7)8(3,4)6-2/h7H,5-6H2,1-4H3
InChIKeyDJFJQEGFZWOSNI-UHFFFAOYSA-N
XLogP2.16
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine?
The IUPAC name of 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine (CID 21280122) is 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine.
What is the SMILES notation for 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine?
The canonical SMILES for 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine is CCC1ON1C(C)(C)CC.
What is the InChIKey of 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine?
The InChIKey is DJFJQEGFZWOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-7-9(10-7)8(3,4)6-2/h7H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine?
3-ethyl-2-(2-methylbutan-2-yl)oxaziridine has a molecular weight of 143.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methylbutan-2-yl)oxaziridine is sourced from PubChem (CID 21280122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).