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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Related Compounds

N-methyl-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 146624355
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1-[7-(dimethylaminosulfanyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(methylamino)ethanone
CID 166894989
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
CID 166733131
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061

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).