2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine

C14H28N2O — CID 83030393

IUPAC2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC2(CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-11-9-15-8-10-16-12-14(13-16)6-4-2-3-5-7-14/h15H,2-13H2,1H3
InChIKeyBTPAVZKVUHUKJB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine

2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 83030393) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID83030393
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC2(CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-11-9-15-8-10-16-12-14(13-16)6-4-2-3-5-7-14/h15H,2-13H2,1H3
InChIKeyBTPAVZKVUHUKJB-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine (CID 83030393) is 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CC2(CCCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is BTPAVZKVUHUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-11-9-15-8-10-16-12-14(13-16)6-4-2-3-5-7-14/h15H,2-13H2,1H3.
What are the key properties of 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine?
2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 83030393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).