4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C18H30N2O — CID 64946817

IUPAC4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1CCc1ccco1
InChIInChI=1S/C18H30N2O/c1-15(2)17-13-19-18(9-4-3-5-10-18)14-20(17)11-8-16-7-6-12-21-16/h6-7,12,15,17,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyQYOYFLSUVMKBHB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds4

About 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64946817) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64946817
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1CCc1ccco1
InChIInChI=1S/C18H30N2O/c1-15(2)17-13-19-18(9-4-3-5-10-18)14-20(17)11-8-16-7-6-12-21-16/h6-7,12,15,17,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyQYOYFLSUVMKBHB-UHFFFAOYSA-N
XLogP3.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64947852
8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64934328
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
CID 64942841
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946727
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64946817) is 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1CCc1ccco1.
What is the InChIKey of 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QYOYFLSUVMKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)17-13-19-18(9-4-3-5-10-18)14-20(17)11-8-16-7-6-12-21-16/h6-7,12,15,17,19H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64946817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).