4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane

C18H30N2O — CID 64947852

IUPAC4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC(CCc1ccco1)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C18H30N2O/c1-15(8-9-17-7-6-12-21-17)20-14-18(19-13-16(20)2)10-4-3-5-11-18/h6-7,12,15-16,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyNCZPNKMUNTUBGS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.60
Rot. Bonds4

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

4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64947852) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64947852
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC(CCc1ccco1)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C18H30N2O/c1-15(8-9-17-7-6-12-21-17)20-14-18(19-13-16(20)2)10-4-3-5-11-18/h6-7,12,15-16,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyNCZPNKMUNTUBGS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64947987
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
CID 64942841
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64941030
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947632
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
5-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-5-methyl-2-propan-2-ylpiperazine
CID 64945850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64947852) is 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane is CC(CCc1ccco1)N1CC2(CCCCC2)NCC1C.
What is the InChIKey of 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is NCZPNKMUNTUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(8-9-17-7-6-12-21-17)20-14-18(19-13-16(20)2)10-4-3-5-11-18/h6-7,12,15-16,19H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane?
4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64947852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).