6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol

C15H31NO2 — CID 106206819

IUPAC6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCOCCC1CCC1
InChIInChI=1S/C15H31NO2/c1-3-16-15(2,13-17)10-4-5-11-18-12-9-14-7-6-8-14/h14,16-17H,3-13H2,1-2H3
InChIKeyAHTNQLKWQKSTGR-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds11

About 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol

6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 106206819) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID106206819
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCOCCC1CCC1
InChIInChI=1S/C15H31NO2/c1-3-16-15(2,13-17)10-4-5-11-18-12-9-14-7-6-8-14/h14,16-17H,3-13H2,1-2H3
InChIKeyAHTNQLKWQKSTGR-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
2-(ethylamino)-2-methyl-4-propoxybutan-1-ol
CID 64806050

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol (CID 106206819) is 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCOCCC1CCC1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is AHTNQLKWQKSTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-16-15(2,13-17)10-4-5-11-18-12-9-14-7-6-8-14/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol?
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 106206819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).