3-methyloxaziridin-3-amine

C2H6N2O — CID 123396376

IUPAC3-methyloxaziridin-3-amine
SMILESCC1(N)NO1
InChIInChI=1S/C2H6N2O/c1-2(3)4-5-2/h4H,3H2,1H3
InChIKeyBUKVGOWLIGULLL-UHFFFAOYSA-N
MW74.08 g/mol
LogP-0.85
Rot. Bonds

About 3-methyloxaziridin-3-amine

3-methyloxaziridin-3-amine (PubChem CID 123396376) has the molecular formula C2H6N2O and a molecular weight of 74.08 g/mol. Its IUPAC name is 3-methyloxaziridin-3-amine.

Molecular Properties

Compound Name3-methyloxaziridin-3-amine
PubChem CID123396376
Molecular FormulaC2H6N2O
Molecular Weight74.08 g/mol
Exact Mass74.05
IUPAC Name3-methyloxaziridin-3-amine
SMILESCC1(N)NO1
InChIInChI=1S/C2H6N2O/c1-2(3)4-5-2/h4H,3H2,1H3
InChIKeyBUKVGOWLIGULLL-UHFFFAOYSA-N
XLogP-0.85
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine
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3-propan-2-yloxirane-2,2,3-triamine
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1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
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CID 163415419
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2,2,3-trifluoro-3-methyloxirane
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Frequently Asked Questions

What is the IUPAC name of 3-methyloxaziridin-3-amine?
The IUPAC name of 3-methyloxaziridin-3-amine (CID 123396376) is 3-methyloxaziridin-3-amine.
What is the SMILES notation for 3-methyloxaziridin-3-amine?
The canonical SMILES for 3-methyloxaziridin-3-amine is CC1(N)NO1.
What is the InChIKey of 3-methyloxaziridin-3-amine?
The InChIKey is BUKVGOWLIGULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O/c1-2(3)4-5-2/h4H,3H2,1H3.
What are the key properties of 3-methyloxaziridin-3-amine?
3-methyloxaziridin-3-amine has a molecular weight of 74.08 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxaziridin-3-amine is sourced from PubChem (CID 123396376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).