9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane

C13H26N2O — CID 106458471

IUPAC9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
SMILESCCCOCCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-10-16-11-9-15-8-7-14-13(12-15)5-3-4-6-13/h14H,2-12H2,1H3
InChIKeyLAWXWTZSDLDBIY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane

9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 106458471) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
PubChem CID106458471
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
SMILESCCCOCCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-10-16-11-9-15-8-7-14-13(12-15)5-3-4-6-13/h14H,2-12H2,1H3
InChIKeyLAWXWTZSDLDBIY-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane (CID 106458471) is 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane is CCCOCCN1CCNC2(CCCC2)C1.
What is the InChIKey of 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is LAWXWTZSDLDBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-10-16-11-9-15-8-7-14-13(12-15)5-3-4-6-13/h14H,2-12H2,1H3.
What are the key properties of 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane?
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106458471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).