ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol

C11H25NO3 — CID 142157408

IUPACethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
SMILESC=C.CC1C[C@@H](O)C[C@@H](CO)O1.CCN
InChIInChI=1S/C7H14O3.C2H7N.C2H4/c1-5-2-6(9)3-7(4-8)10-5;1-2-3;1-2/h5-9H,2-4H2,1H3;2-3H2,1H3;1-2H2/t5?,6-,7+;;/m1../s1
InChIKeyLOLXJNKQMLIBCS-RPHKKZDQSA-N
MW219.32 g/mol
LogP0.67
Rot. Bonds1

About ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol

ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol (PubChem CID 142157408) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol.

Molecular Properties

Compound Nameethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
PubChem CID142157408
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Nameethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
SMILESC=C.CC1C[C@@H](O)C[C@@H](CO)O1.CCN
InChIInChI=1S/C7H14O3.C2H7N.C2H4/c1-5-2-6(9)3-7(4-8)10-5;1-2-3;1-2/h5-9H,2-4H2,1H3;2-3H2,1H3;1-2H2/t5?,6-,7+;;/m1../s1
InChIKeyLOLXJNKQMLIBCS-RPHKKZDQSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol?
The IUPAC name of ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol (CID 142157408) is ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol.
What is the SMILES notation for ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol?
The canonical SMILES for ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol is C=C.CC1C[C@@H](O)C[C@@H](CO)O1.CCN.
What is the InChIKey of ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol?
The InChIKey is LOLXJNKQMLIBCS-RPHKKZDQSA-N. The full InChI is InChI=1S/C7H14O3.C2H7N.C2H4/c1-5-2-6(9)3-7(4-8)10-5;1-2-3;1-2/h5-9H,2-4H2,1H3;2-3H2,1H3;1-2H2/t5?,6-,7+;;/m1../s1.
What are the key properties of ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol?
ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol has a molecular weight of 219.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 142157408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).