(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine

C5H11NO — CID 59111462

IUPAC(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine
SMILESCN[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeySYCATARAXXDFGG-WHFBIAKZSA-N
MW101.15 g/mol
LogP-0.01
Rot. Bonds2

About (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine

(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine (PubChem CID 59111462) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine
PubChem CID59111462
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine
SMILESCN[C@@H](C)[C@@H]1CO1
InChIInChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeySYCATARAXXDFGG-WHFBIAKZSA-N
XLogP-0.01
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.01
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 (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine (CID 59111462) is (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine is CN[C@@H](C)[C@@H]1CO1.
What is the InChIKey of (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine?
The InChIKey is SYCATARAXXDFGG-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(6-2)5-3-7-5/h4-6H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine?
(1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine has a molecular weight of 101.15 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[(2R)-oxiran-2-yl]ethanamine is sourced from PubChem (CID 59111462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).