1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane

C13H26N2O2 — CID 178115937

IUPAC1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
SMILESCC.CCOCC(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O2.C2H6/c1-2-15-7-10(14)13-8-11(9-13)3-5-12-6-4-11;1-2/h12H,2-9H2,1H3;1-2H3
InChIKeyRQVJZJQSZGDHRM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds3

About 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane

1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane (PubChem CID 178115937) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane.

Molecular Properties

Compound Name1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
PubChem CID178115937
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
SMILESCC.CCOCC(=O)N1CC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O2.C2H6/c1-2-15-7-10(14)13-8-11(9-13)3-5-12-6-4-11;1-2/h12H,2-9H2,1H3;1-2H3
InChIKeyRQVJZJQSZGDHRM-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane?
The IUPAC name of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane (CID 178115937) is 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane.
What is the SMILES notation for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane?
The canonical SMILES for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane is CC.CCOCC(=O)N1CC2(CCNCC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane?
The InChIKey is RQVJZJQSZGDHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-2-15-7-10(14)13-8-11(9-13)3-5-12-6-4-11;1-2/h12H,2-9H2,1H3;1-2H3.
What are the key properties of 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane?
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane has a molecular weight of 242.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane is sourced from PubChem (CID 178115937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).