8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane

C18H30N2S — CID 64878537

IUPAC8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CNC2(CCCC2)CN1CCc1cccs1
InChIInChI=1S/C18H30N2S/c1-17(2,3)16-13-19-18(9-4-5-10-18)14-20(16)11-8-15-7-6-12-21-15/h6-7,12,16,19H,4-5,8-11,13-14H2,1-3H3
InChIKeyPLVFDDYKBZUZOY-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.92
Rot. Bonds3

About 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane

8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64878537) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64878537
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CNC2(CCCC2)CN1CCc1cccs1
InChIInChI=1S/C18H30N2S/c1-17(2,3)16-13-19-18(9-4-5-10-18)14-20(16)11-8-15-7-6-12-21-15/h6-7,12,16,19H,4-5,8-11,13-14H2,1-3H3
InChIKeyPLVFDDYKBZUZOY-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64878202
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64877000
2,5,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64862344
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
8-cyclopropyl-8-methyl-6-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64861176
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64933810

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64878537) is 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane is CC(C)(C)C1CNC2(CCCC2)CN1CCc1cccs1.
What is the InChIKey of 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is PLVFDDYKBZUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-17(2,3)16-13-19-18(9-4-5-10-18)14-20(16)11-8-15-7-6-12-21-15/h6-7,12,16,19H,4-5,8-11,13-14H2,1-3H3.
What are the key properties of 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 306.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).