2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine

C5H11N2O- — CID 163642670

IUPAC2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine
SMILESCN([O-])CCN1CC1
InChIInChI=1S/C5H11N2O/c1-6(8)2-3-7-4-5-7/h2-5H2,1H3/q-1
InChIKeyPOFNDUKTAVRUSL-UHFFFAOYSA-N
MW115.16 g/mol
LogP-0.27
Rot. Bonds3

About 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine

2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine (PubChem CID 163642670) has the molecular formula C5H11N2O- and a molecular weight of 115.16 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine.

Molecular Properties

Compound Name2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine
PubChem CID163642670
Molecular FormulaC5H11N2O-
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine
SMILESCN([O-])CCN1CC1
InChIInChI=1S/C5H11N2O/c1-6(8)2-3-7-4-5-7/h2-5H2,1H3/q-1
InChIKeyPOFNDUKTAVRUSL-UHFFFAOYSA-N
XLogP-0.27
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine?
The IUPAC name of 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine (CID 163642670) is 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine.
What is the SMILES notation for 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine?
The canonical SMILES for 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine is CN([O-])CCN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine?
The InChIKey is POFNDUKTAVRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O/c1-6(8)2-3-7-4-5-7/h2-5H2,1H3/q-1.
What are the key properties of 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine?
2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine has a molecular weight of 115.16 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-N-methyl-N-oxidoethanamine is sourced from PubChem (CID 163642670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).