2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine

C7H15NO — CID 88709500

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine
SMILESCC1NC1OC(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8-5)9-7(2,3)4/h5-6,8H,1-4H3
InChIKeyQPQVVQAEBVTVTC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds1

About 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine

2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine (PubChem CID 88709500) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine
PubChem CID88709500
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine
SMILESCC1NC1OC(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-6(8-5)9-7(2,3)4/h5-6,8H,1-4H3
InChIKeyQPQVVQAEBVTVTC-UHFFFAOYSA-N
XLogP1.12
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
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-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine (CID 88709500) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine is CC1NC1OC(C)(C)C.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine?
The InChIKey is QPQVVQAEBVTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(8-5)9-7(2,3)4/h5-6,8H,1-4H3.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine?
2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine has a molecular weight of 129.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]aziridine is sourced from PubChem (CID 88709500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).