1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol

C14H27NO3 — CID 79907960

IUPAC1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
SMILESCOCCNCC(C)(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(16,11-15-7-9-17-2)12-4-8-18-14(10-12)5-3-6-14/h12,15-16H,3-11H2,1-2H3
InChIKeyKNJDWKAPOUFXPA-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds6

About 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol

1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol (PubChem CID 79907960) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
PubChem CID79907960
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol
SMILESCOCCNCC(C)(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(16,11-15-7-9-17-2)12-4-8-18-14(10-12)5-3-6-14/h12,15-16H,3-11H2,1-2H3
InChIKeyKNJDWKAPOUFXPA-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
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-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79923585
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol (CID 79907960) is 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol is COCCNCC(C)(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol?
The InChIKey is KNJDWKAPOUFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(16,11-15-7-9-17-2)12-4-8-18-14(10-12)5-3-6-14/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol?
1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol has a molecular weight of 257.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-ol is sourced from PubChem (CID 79907960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).