6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H33NO2 — CID 106206844

IUPAC6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCC1CCC1
InChIInChI=1S/C16H33NO2/c1-14(2)17-16(3,13-18)10-4-5-11-19-12-9-15-7-6-8-15/h14-15,17-18H,4-13H2,1-3H3
InChIKeyGVQUFZUDMFHESZ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds11

About 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 106206844) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID106206844
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOCCC1CCC1
InChIInChI=1S/C16H33NO2/c1-14(2)17-16(3,13-18)10-4-5-11-19-12-9-15-7-6-8-15/h14-15,17-18H,4-13H2,1-3H3
InChIKeyGVQUFZUDMFHESZ-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
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-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 64803380
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 106206844) is 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOCCC1CCC1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is GVQUFZUDMFHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-14(2)17-16(3,13-18)10-4-5-11-19-12-9-15-7-6-8-15/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of 6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 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-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 106206844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).