5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol

C11H23NO2 — CID 114467295

IUPAC5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
SMILESC=C(C)COCCNCCCCCO
InChIInChI=1S/C11H23NO2/c1-11(2)10-14-9-7-12-6-4-3-5-8-13/h12-13H,1,3-10H2,2H3
InChIKeyLEWPLNZOJPTIQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds10

About 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol

5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol (PubChem CID 114467295) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
PubChem CID114467295
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
SMILESC=C(C)COCCNCCCCCO
InChIInChI=1S/C11H23NO2/c1-11(2)10-14-9-7-12-6-4-3-5-8-13/h12-13H,1,3-10H2,2H3
InChIKeyLEWPLNZOJPTIQQ-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
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

trans-(1S,2S)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734199
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
6-[2-(2-Methylprop-2-enoxy)ethylamino]hexan-1-ol
CID 107703679
2-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 114465814
2-Methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114465923
N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465942
2-Ethyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114466016
4-[2-(2-Methylprop-2-enoxy)ethylamino]butan-1-ol
CID 114467080
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199
3-[2-(2-Methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114467358
2-[2-(2-Methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 114467623

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol (CID 114467295) is 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol is C=C(C)COCCNCCCCCO.
What is the InChIKey of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The InChIKey is LEWPLNZOJPTIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2)10-14-9-7-12-6-4-3-5-8-13/h12-13H,1,3-10H2,2H3.
What are the key properties of 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol is sourced from PubChem (CID 114467295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).