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

C15H29NO3 — CID 79923585

IUPAC2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCOCCNCC(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO3/c1-18-10-8-16-12-14(17)13-5-9-19-15(11-13)6-3-2-4-7-15/h13-14,16-17H,2-12H2,1H3
InChIKeyIHZSFXCPQOVVQZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds6

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

2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79923585) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79923585
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCOCCNCC(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO3/c1-18-10-8-16-12-14(17)13-5-9-19-15(11-13)6-3-2-4-7-15/h13-14,16-17H,2-12H2,1H3
InChIKeyIHZSFXCPQOVVQZ-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
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

1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79915501
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79923585) is 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is COCCNCC(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is IHZSFXCPQOVVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-18-10-8-16-12-14(17)13-5-9-19-15(11-13)6-3-2-4-7-15/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 271.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79923585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).