2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol

C15H31NO3 — CID 64808670

IUPAC2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
SMILESCCNC(C)(CO)CCCCOCC1CCOCC1
InChIInChI=1S/C15H31NO3/c1-3-16-15(2,13-17)8-4-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3
InChIKeyJTYMUOWBIJMCFP-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds10

About 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol

2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol (PubChem CID 64808670) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
PubChem CID64808670
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
SMILESCCNC(C)(CO)CCCCOCC1CCOCC1
InChIInChI=1S/C15H31NO3/c1-3-16-15(2,13-17)8-4-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3
InChIKeyJTYMUOWBIJMCFP-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
CID 64810792
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64798350

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol (CID 64808670) is 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol is CCNC(C)(CO)CCCCOCC1CCOCC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
The InChIKey is JTYMUOWBIJMCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-16-15(2,13-17)8-4-5-9-19-12-14-6-10-18-11-7-14/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol?
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol is sourced from PubChem (CID 64808670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).