2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine

C13H23NO — CID 167254398

IUPAC2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESC=CC1(CCN)CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-12(7-9-14)8-10-15-13(11-12)5-3-4-6-13/h2H,1,3-11,14H2
InChIKeyJKZDLJBAFZMHGD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds3

About 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 167254398) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID167254398
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESC=CC1(CCN)CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-12(7-9-14)8-10-15-13(11-12)5-3-4-6-13/h2H,1,3-11,14H2
InChIKeyJKZDLJBAFZMHGD-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 167254398) is 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine is C=CC1(CCN)CCOC2(CCCC2)C1.
What is the InChIKey of 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is JKZDLJBAFZMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-12(7-9-14)8-10-15-13(11-12)5-3-4-6-13/h2H,1,3-11,14H2.
What are the key properties of 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 167254398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).