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

C18H30N2S — CID 64876228

IUPAC8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCc1ccsc1
InChIInChI=1S/C18H30N2S/c1-15(2)11-17-12-19-18(7-3-4-8-18)14-20(17)9-5-16-6-10-21-13-16/h6,10,13,15,17,19H,3-5,7-9,11-12,14H2,1-2H3
InChIKeyRVQLCSMKPZGSBW-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.92
Rot. Bonds5

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

8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64876228) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64876228
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CCc1ccsc1
InChIInChI=1S/C18H30N2S/c1-15(2)11-17-12-19-18(7-3-4-8-18)14-20(17)9-5-16-6-10-21-13-16/h6,10,13,15,17,19H,3-5,7-9,11-12,14H2,1-2H3
InChIKeyRVQLCSMKPZGSBW-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

8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
CID 112752388
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
8-(2-methylpropyl)-9-(2-propan-2-yloxyethyl)-6,9-diazaspiro[4.5]decane
CID 64878149
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
CID 64849303
4-(3-ethoxypropyl)-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 65178246
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
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-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane (CID 64876228) is 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CNC2(CCCC2)CN1CCc1ccsc1.
What is the InChIKey of 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is RVQLCSMKPZGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-15(2)11-17-12-19-18(7-3-4-8-18)14-20(17)9-5-16-6-10-21-13-16/h6,10,13,15,17,19H,3-5,7-9,11-12,14H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane?
8-(2-methylpropyl)-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-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).