2-propan-2-yl-3-propan-2-yloxyaziridine

C8H17NO — CID 88624279

IUPAC2-propan-2-yl-3-propan-2-yloxyaziridine
SMILESCC(C)OC1NC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(9-7)10-6(3)4/h5-9H,1-4H3
InChIKeyFJGYTCFUXUSQKA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds3

About 2-propan-2-yl-3-propan-2-yloxyaziridine

2-propan-2-yl-3-propan-2-yloxyaziridine (PubChem CID 88624279) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-propan-2-yl-3-propan-2-yloxyaziridine.

Molecular Properties

Compound Name2-propan-2-yl-3-propan-2-yloxyaziridine
PubChem CID88624279
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-propan-2-yl-3-propan-2-yloxyaziridine
SMILESCC(C)OC1NC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(9-7)10-6(3)4/h5-9H,1-4H3
InChIKeyFJGYTCFUXUSQKA-UHFFFAOYSA-N
XLogP1.37
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
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-propan-2-yl-3-propan-2-yloxyaziridine?
The IUPAC name of 2-propan-2-yl-3-propan-2-yloxyaziridine (CID 88624279) is 2-propan-2-yl-3-propan-2-yloxyaziridine.
What is the SMILES notation for 2-propan-2-yl-3-propan-2-yloxyaziridine?
The canonical SMILES for 2-propan-2-yl-3-propan-2-yloxyaziridine is CC(C)OC1NC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-propan-2-yloxyaziridine?
The InChIKey is FJGYTCFUXUSQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5(2)7-8(9-7)10-6(3)4/h5-9H,1-4H3.
What are the key properties of 2-propan-2-yl-3-propan-2-yloxyaziridine?
2-propan-2-yl-3-propan-2-yloxyaziridine has a molecular weight of 143.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-propan-2-yloxyaziridine is sourced from PubChem (CID 88624279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).