9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane

C18H30N2S — CID 64948572

IUPAC9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1C(C)c1cc(C)sc1C
InChIInChI=1S/C18H30N2S/c1-5-16-11-19-18(8-6-7-9-18)12-20(16)14(3)17-10-13(2)21-15(17)4/h10,14,16,19H,5-9,11-12H2,1-4H3
InChIKeyCXFXQRDWUIJOMA-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.42
Rot. Bonds3

About 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane

9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64948572) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64948572
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1C(C)c1cc(C)sc1C
InChIInChI=1S/C18H30N2S/c1-5-16-11-19-18(8-6-7-9-18)12-20(16)14(3)17-10-13(2)21-15(17)4/h10,14,16,19H,5-9,11-12H2,1-4H3
InChIKeyCXFXQRDWUIJOMA-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79231699
8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
CID 106224522
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-5-propylpiperazine
CID 64948574
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64948572) is 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1C(C)c1cc(C)sc1C.
What is the InChIKey of 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is CXFXQRDWUIJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-5-16-11-19-18(8-6-7-9-18)12-20(16)14(3)17-10-13(2)21-15(17)4/h10,14,16,19H,5-9,11-12H2,1-4H3.
What are the key properties of 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 306.52 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64948572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).