6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol

C12H25NO2 — CID 107703679

IUPAC6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol
SMILESC=C(C)COCCNCCCCCCO
InChIInChI=1S/C12H25NO2/c1-12(2)11-15-10-8-13-7-5-3-4-6-9-14/h13-14H,1,3-11H2,2H3
InChIKeyXBYLQJXIISZLLF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.72
Rot. Bonds11

About 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol

6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol (PubChem CID 107703679) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol
PubChem CID107703679
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol
SMILESC=C(C)COCCNCCCCCCO
InChIInChI=1S/C12H25NO2/c1-12(2)11-15-10-8-13-7-5-3-4-6-9-14/h13-14H,1,3-11H2,2H3
InChIKeyXBYLQJXIISZLLF-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731768
trans-(1S,2S)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731769
4-[2-(2-Methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 106595271
2-Methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114465923
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]methyl]cyclopentan-1-ol
CID 114467107
1-[2-(2-Methylprop-2-enoxy)ethylamino]butan-2-ol
CID 114467199
2-[2-(2-Methylprop-2-enoxy)ethylamino]cycloheptan-1-ol
CID 114467270
5-[2-(2-Methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 114467295

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol?
The IUPAC name of 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol (CID 107703679) is 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol is C=C(C)COCCNCCCCCCO.
What is the InChIKey of 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol?
The InChIKey is XBYLQJXIISZLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2)11-15-10-8-13-7-5-3-4-6-9-14/h13-14H,1,3-11H2,2H3.
What are the key properties of 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol?
6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylprop-2-enoxy)ethylamino]hexan-1-ol is sourced from PubChem (CID 107703679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).