4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol

C13H25NO3 — CID 142257774

IUPAC4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol
SMILESC=CO/C=C(\C)COCCC(O)CNCCC
InChIInChI=1S/C13H25NO3/c1-4-7-14-9-13(15)6-8-17-11-12(3)10-16-5-2/h5,10,13-15H,2,4,6-9,11H2,1,3H3/b12-10+
InChIKeyOGUAVISNRQUABB-ZRDIBKRKSA-N
MW243.35 g/mol
LogP1.82
Rot. Bonds11

About 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol

4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol (PubChem CID 142257774) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol.

Molecular Properties

Compound Name4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol
PubChem CID142257774
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol
SMILESC=CO/C=C(\C)COCCC(O)CNCCC
InChIInChI=1S/C13H25NO3/c1-4-7-14-9-13(15)6-8-17-11-12(3)10-16-5-2/h5,10,13-15H,2,4,6-9,11H2,1,3H3/b12-10+
InChIKeyOGUAVISNRQUABB-ZRDIBKRKSA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-Methylprop-2-enoxy)ethylamino]butan-1-ol
CID 114467080
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199
4-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467529

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol?
The IUPAC name of 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol (CID 142257774) is 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol.
What is the SMILES notation for 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol?
The canonical SMILES for 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol is C=CO/C=C(\C)COCCC(O)CNCCC.
What is the InChIKey of 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol?
The InChIKey is OGUAVISNRQUABB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-7-14-9-13(15)6-8-17-11-12(3)10-16-5-2/h5,10,13-15H,2,4,6-9,11H2,1,3H3/b12-10+.
What are the key properties of 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol?
4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 1.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-ethenoxy-2-methylprop-2-enoxy]-1-(propylamino)butan-2-ol is sourced from PubChem (CID 142257774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).