2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine

C6H13NO — CID 15202907

IUPAC2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine
SMILESCC[C@@H]1O[C@H]1CCN
InChIInChI=1S/C6H13NO/c1-2-5-6(8-5)3-4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyFRPCFCXLNQXXMM-WDSKDSINSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds3

About 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine

2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine (PubChem CID 15202907) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine
PubChem CID15202907
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine
SMILESCC[C@@H]1O[C@H]1CCN
InChIInChI=1S/C6H13NO/c1-2-5-6(8-5)3-4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyFRPCFCXLNQXXMM-WDSKDSINSA-N
XLogP0.51
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
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-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine?
The IUPAC name of 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine (CID 15202907) is 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine is CC[C@@H]1O[C@H]1CCN.
What is the InChIKey of 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine?
The InChIKey is FRPCFCXLNQXXMM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-5-6(8-5)3-4-7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine?
2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine is sourced from PubChem (CID 15202907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).