3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane

C17H28N2O — CID 64947987

IUPAC3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc(C(C)N2CC3(CCCCC3)NCC2C)o1
InChIInChI=1S/C17H28N2O/c1-13-11-18-17(9-5-4-6-10-17)12-19(13)15(3)16-8-7-14(2)20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyILNIVAIJFFPSKC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.65
Rot. Bonds2

About 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane

3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64947987) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64947987
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc(C(C)N2CC3(CCCCC3)NCC2C)o1
InChIInChI=1S/C17H28N2O/c1-13-11-18-17(9-5-4-6-10-17)12-19(13)15(3)16-8-7-14(2)20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3
InChIKeyILNIVAIJFFPSKC-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64939348
9-(1-cyclopropylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934634
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
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64940472
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931054
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 64947987) is 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane is Cc1ccc(C(C)N2CC3(CCCCC3)NCC2C)o1.
What is the InChIKey of 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is ILNIVAIJFFPSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-11-18-17(9-5-4-6-10-17)12-19(13)15(3)16-8-7-14(2)20-16/h7-8,13,15,18H,4-6,9-12H2,1-3H3.
What are the key properties of 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane?
3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 276.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).