8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane

C18H30N2S — CID 64877949

IUPAC8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1CCc1ccsc1
InChIInChI=1S/C18H30N2S/c1-3-15(2)17-12-19-18(8-4-5-9-18)14-20(17)10-6-16-7-11-21-13-16/h7,11,13,15,17,19H,3-6,8-10,12,14H2,1-2H3
InChIKeyBXEIJABJRAKEGG-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.92
Rot. Bonds5

About 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane

8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64877949) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64877949
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1CCc1ccsc1
InChIInChI=1S/C18H30N2S/c1-3-15(2)17-12-19-18(8-4-5-9-18)14-20(17)10-6-16-7-11-21-13-16/h7,11,13,15,17,19H,3-6,8-10,12,14H2,1-2H3
InChIKeyBXEIJABJRAKEGG-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64876228
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64934328
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64877949) is 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane is CCC(C)C1CNC2(CCCC2)CN1CCc1ccsc1.
What is the InChIKey of 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is BXEIJABJRAKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-3-15(2)17-12-19-18(8-4-5-9-18)14-20(17)10-6-16-7-11-21-13-16/h7,11,13,15,17,19H,3-6,8-10,12,14H2,1-2H3.
What are the key properties of 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 306.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).