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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 82038244
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethoxyethanone
CID 66212770
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
CID 154907984
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
CID 165439142
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278

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).