2-tert-butyl-3-propan-2-yloxaziridine

C8H17NO — CID 14745405

IUPAC2-tert-butyl-3-propan-2-yloxaziridine
SMILESCC(C)C1ON1C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(2)7-9(10-7)8(3,4)5/h6-7H,1-5H3
InChIKeyKAKTYJNRNJXBDQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.01
Rot. Bonds1

About 2-tert-butyl-3-propan-2-yloxaziridine

2-tert-butyl-3-propan-2-yloxaziridine (PubChem CID 14745405) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-tert-butyl-3-propan-2-yloxaziridine.

Molecular Properties

Compound Name2-tert-butyl-3-propan-2-yloxaziridine
PubChem CID14745405
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-tert-butyl-3-propan-2-yloxaziridine
SMILESCC(C)C1ON1C(C)(C)C
InChIInChI=1S/C8H17NO/c1-6(2)7-9(10-7)8(3,4)5/h6-7H,1-5H3
InChIKeyKAKTYJNRNJXBDQ-UHFFFAOYSA-N
XLogP2.01
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.01
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 2-tert-butyl-3-propan-2-yloxaziridine?
The IUPAC name of 2-tert-butyl-3-propan-2-yloxaziridine (CID 14745405) is 2-tert-butyl-3-propan-2-yloxaziridine.
What is the SMILES notation for 2-tert-butyl-3-propan-2-yloxaziridine?
The canonical SMILES for 2-tert-butyl-3-propan-2-yloxaziridine is CC(C)C1ON1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-propan-2-yloxaziridine?
The InChIKey is KAKTYJNRNJXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)7-9(10-7)8(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-3-propan-2-yloxaziridine?
2-tert-butyl-3-propan-2-yloxaziridine has a molecular weight of 143.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-propan-2-yloxaziridine is sourced from PubChem (CID 14745405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).