1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol

C14H27NO2 — CID 79924322

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h12-13,15-16H,2-11H2,1H3
InChIKeyBSPAVMJLLQSYLJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds5

About 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol

1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol (PubChem CID 79924322) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
PubChem CID79924322
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h12-13,15-16H,2-11H2,1H3
InChIKeyBSPAVMJLLQSYLJ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
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

2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79923585
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
CID 79921106
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol (CID 79924322) is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol is CCCNCC(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol?
The InChIKey is BSPAVMJLLQSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol?
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol has a molecular weight of 241.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol is sourced from PubChem (CID 79924322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).