1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone

C12H23N3O — CID 164556916

IUPAC1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
SMILESCCN1CCC2(CC1)CN(C(=O)CNC)C2
InChIInChI=1S/C12H23N3O/c1-3-14-6-4-12(5-7-14)9-15(10-12)11(16)8-13-2/h13H,3-10H2,1-2H3
InChIKeyKGDZJSRMNFSUKU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds3

About 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone

1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone (PubChem CID 164556916) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
PubChem CID164556916
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
SMILESCCN1CCC2(CC1)CN(C(=O)CNC)C2
InChIInChI=1S/C12H23N3O/c1-3-14-6-4-12(5-7-14)9-15(10-12)11(16)8-13-2/h13H,3-10H2,1-2H3
InChIKeyKGDZJSRMNFSUKU-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone (CID 164556916) is 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone is CCN1CCC2(CC1)CN(C(=O)CNC)C2.
What is the InChIKey of 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone?
The InChIKey is KGDZJSRMNFSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-6-4-12(5-7-14)9-15(10-12)11(16)8-13-2/h13H,3-10H2,1-2H3.
What are the key properties of 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone?
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 164556916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).