1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone

C13H24N2O — CID 124641820

IUPAC1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
SMILESCCN[C@@H]1CN(C(C)=O)C2(CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-3-14-12-9-13(7-5-4-6-8-13)15(10-12)11(2)16/h12,14H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYYHFSOARHFEWDW-LBPRGKRZSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds2

About 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone

1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone (PubChem CID 124641820) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
PubChem CID124641820
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
SMILESCCN[C@@H]1CN(C(C)=O)C2(CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-3-14-12-9-13(7-5-4-6-8-13)15(10-12)11(2)16/h12,14H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYYHFSOARHFEWDW-LBPRGKRZSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone 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-[(3R)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
CID 124641818
1-[3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone
CID 73440382
acetic acid;N-ethylcyclohexanamine
CID 66685670
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
1-(5-methylspiro[4,5,6,7,8,9-hexahydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 24870079
N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 110130879
N-(1-acetyl-1-azaspiro[4.5]decan-3-yl)-N-ethyl-2-(1H-indol-3-yl)acetamide
CID 110130853
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 110130343
1-[(5R)-5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]-2-yl]ethanone
CID 704377
1-[(1R,6S,8S)-spiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cyclohexane]-3-yl]ethanone
CID 6545147

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone (CID 124641820) is 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone is CCN[C@@H]1CN(C(C)=O)C2(CCCCC2)C1.
What is the InChIKey of 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone?
The InChIKey is YYHFSOARHFEWDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14-12-9-13(7-5-4-6-8-13)15(10-12)11(2)16/h12,14H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone?
1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(ethylamino)-1-azaspiro[4.5]decan-1-yl]ethanone is sourced from PubChem (CID 124641820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).