11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane

C17H28N2O — CID 64942841

IUPAC11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
SMILESCC(Cc1ccco1)N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C17H28N2O/c1-15(13-16-7-5-12-20-16)19-11-6-10-18-17(14-19)8-3-2-4-9-17/h5,7,12,15,18H,2-4,6,8-11,13-14H2,1H3
InChIKeyJGACAUHITXYKDD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds3

About 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane

11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 64942841) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
PubChem CID64942841
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
SMILESCC(Cc1ccco1)N1CCCNC2(CCCCC2)C1
InChIInChI=1S/C17H28N2O/c1-15(13-16-7-5-12-20-16)19-11-6-10-18-17(14-19)8-3-2-4-9-17/h5,7,12,15,18H,2-4,6,8-11,13-14H2,1H3
InChIKeyJGACAUHITXYKDD-UHFFFAOYSA-N
XLogP3.21
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(1-thiophen-2-ylpropan-2-yl)-6,10-diazaspiro[4.6]undecane
CID 64948806
11-hexan-2-yl-7,11-diazaspiro[5.6]dodecane
CID 64949563
4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64947852
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060718
1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068895
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64858031
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939766
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602

Frequently Asked Questions

What is the IUPAC name of 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane (CID 64942841) is 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane is CC(Cc1ccco1)N1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is JGACAUHITXYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(13-16-7-5-12-20-16)19-11-6-10-18-17(14-19)8-3-2-4-9-17/h5,7,12,15,18H,2-4,6,8-11,13-14H2,1H3.
What are the key properties of 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane?
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 276.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64942841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).