4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol

C17H33NO3 — CID 79908771

IUPAC4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
SMILESCOCCNCCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO3/c1-16(19,9-10-18-11-13-20-2)15-6-12-21-17(14-15)7-4-3-5-8-17/h15,18-19H,3-14H2,1-2H3
InChIKeyRJVBBRNGYYJWOE-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.49
Rot. Bonds7

About 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol

4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol (PubChem CID 79908771) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
PubChem CID79908771
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
SMILESCOCCNCCC(C)(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO3/c1-16(19,9-10-18-11-13-20-2)15-6-12-21-17(14-15)7-4-3-5-8-17/h15,18-19H,3-14H2,1-2H3
InChIKeyRJVBBRNGYYJWOE-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.49
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

2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
CID 79907960
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79923585
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
CID 66003683

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol?
The IUPAC name of 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol (CID 79908771) is 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol?
The canonical SMILES for 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol is COCCNCCC(C)(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol?
The InChIKey is RJVBBRNGYYJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-16(19,9-10-18-11-13-20-2)15-6-12-21-17(14-15)7-4-3-5-8-17/h15,18-19H,3-14H2,1-2H3.
What are the key properties of 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol?
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol has a molecular weight of 299.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol is sourced from PubChem (CID 79908771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).