3-(methoxymethyl)-2,2-dimethylaziridine

C6H13NO — CID 135013065

IUPAC3-(methoxymethyl)-2,2-dimethylaziridine
SMILESCOCC1NC1(C)C
InChIInChI=1S/C6H13NO/c1-6(2)5(7-6)4-8-3/h5,7H,4H2,1-3H3
InChIKeyHQGWZLLKJUKKEQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

About 3-(methoxymethyl)-2,2-dimethylaziridine

3-(methoxymethyl)-2,2-dimethylaziridine (PubChem CID 135013065) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,2-dimethylaziridine.

Molecular Properties

Compound Name3-(methoxymethyl)-2,2-dimethylaziridine
PubChem CID135013065
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(methoxymethyl)-2,2-dimethylaziridine
SMILESCOCC1NC1(C)C
InChIInChI=1S/C6H13NO/c1-6(2)5(7-6)4-8-3/h5,7H,4H2,1-3H3
InChIKeyHQGWZLLKJUKKEQ-UHFFFAOYSA-N
XLogP0.38
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,2-dimethylaziridine?
The IUPAC name of 3-(methoxymethyl)-2,2-dimethylaziridine (CID 135013065) is 3-(methoxymethyl)-2,2-dimethylaziridine.
What is the SMILES notation for 3-(methoxymethyl)-2,2-dimethylaziridine?
The canonical SMILES for 3-(methoxymethyl)-2,2-dimethylaziridine is COCC1NC1(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,2-dimethylaziridine?
The InChIKey is HQGWZLLKJUKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5(7-6)4-8-3/h5,7H,4H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2,2-dimethylaziridine?
3-(methoxymethyl)-2,2-dimethylaziridine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,2-dimethylaziridine is sourced from PubChem (CID 135013065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).