3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol

C12H25NO2 — CID 114493779

IUPAC3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
SMILESC=C(C)COCCNCC(O)(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-12(14,6-2)10-13-7-8-15-9-11(3)4/h13-14H,3,5-10H2,1-2,4H3
InChIKeyYROWIZHDHXBVEG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.72
Rot. Bonds9

About 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol

3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol (PubChem CID 114493779) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
PubChem CID114493779
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
SMILESC=C(C)COCCNCC(O)(CC)CC
InChIInChI=1S/C12H25NO2/c1-5-12(14,6-2)10-13-7-8-15-9-11(3)4/h13-14H,3,5-10H2,1-2,4H3
InChIKeyYROWIZHDHXBVEG-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467162
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987
3-[2-(ethylamino)ethoxymethyl]pentan-3-ol
CID 106939555
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
CID 114467608
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
N,N-dimethyl-2-[2-(2-methylprop-2-enoxy)ethylamino]acetamide
CID 114467467
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[(decylamino)methyl]pentan-3-ol
CID 65111652

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol (CID 114493779) is 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol is C=C(C)COCCNCC(O)(CC)CC.
What is the InChIKey of 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol?
The InChIKey is YROWIZHDHXBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(14,6-2)10-13-7-8-15-9-11(3)4/h13-14H,3,5-10H2,1-2,4H3.
What are the key properties of 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol?
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114493779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).