ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)

C124H261N20Y7-7 — CID 159902428

IUPACethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC12CCN(C)CC2.CC(C)N1CCC12CC[N-]C2.CC(C)N1CCC12C[N-]C2.CC(C)N1CCCC12CCN(C)CC2.CC(C)N1CCCC12CC[N-]C2.CC(C)N1CCCC12C[N-]C2.CC(C)N1CCCC2[N-]CCCC21.CC(C)N1CCCCC12CCN(C)CC2.CC(C)N1CCCCC12CC[N-]C2.CC(C)N1CCCCC12C[N-]C2.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H26N2.C12H24N2.C11H22N2.2C11H21N2.2C10H19N2.2C9H17N2.C8H15N2.10C2H6.7Y/c1-12(2)15-9-5-4-6-13(15)7-10-14(3)11-8-13;1-11(2)14-8-4-5-12(14)6-9-13(3)10-7-12;1-10(2)13-9-6-11(13)4-7-12(3)8-5-11;1-9(2)13-8-4-5-10-11(13)6-3-7-12-10;1-10(2)13-8-4-3-5-11(13)6-7-12-9-11;1-9(2)12-7-3-4-10(12)5-6-11-8-10;1-9(2)12-6-4-3-5-10(12)7-11-8-10;1-8(2)11-6-4-9(11)3-5-10-7-9;1-8(2)11-5-3-4-9(11)6-10-7-9;1-7(2)10-4-3-8(10)5-9-6-8;10*1-2;;;;;;;/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3;;;;;;;/q;;;7*-1;;;;;;;;;;;;;;;;;
InChIKeyUBFFCQMJOOZKER-UHFFFAOYSA-N
MW2654.93 g/mol
LogP29.38
Rot. Bonds10

About ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)

ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) (PubChem CID 159902428) has the molecular formula C124H261N20Y7-7 and a molecular weight of 2654.93 g/mol. Its IUPAC name is ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium).

Molecular Properties

Compound Nameethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)
PubChem CID159902428
Molecular FormulaC124H261N20Y7-7
Molecular Weight2654.93 g/mol
Exact Mass2653.45
IUPAC Nameethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC12CCN(C)CC2.CC(C)N1CCC12CC[N-]C2.CC(C)N1CCC12C[N-]C2.CC(C)N1CCCC12CCN(C)CC2.CC(C)N1CCCC12CC[N-]C2.CC(C)N1CCCC12C[N-]C2.CC(C)N1CCCC2[N-]CCCC21.CC(C)N1CCCCC12CCN(C)CC2.CC(C)N1CCCCC12CC[N-]C2.CC(C)N1CCCCC12C[N-]C2.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H26N2.C12H24N2.C11H22N2.2C11H21N2.2C10H19N2.2C9H17N2.C8H15N2.10C2H6.7Y/c1-12(2)15-9-5-4-6-13(15)7-10-14(3)11-8-13;1-11(2)14-8-4-5-12(14)6-9-13(3)10-7-12;1-10(2)13-9-6-11(13)4-7-12(3)8-5-11;1-9(2)13-8-4-5-10-11(13)6-3-7-12-10;1-10(2)13-8-4-3-5-11(13)6-7-12-9-11;1-9(2)12-7-3-4-10(12)5-6-11-8-10;1-9(2)12-6-4-3-5-10(12)7-11-8-10;1-8(2)11-6-4-9(11)3-5-10-7-9;1-8(2)11-5-3-4-9(11)6-10-7-9;1-7(2)10-4-3-8(10)5-9-6-8;10*1-2;;;;;;;/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3;;;;;;;/q;;;7*-1;;;;;;;;;;;;;;;;;
InChIKeyUBFFCQMJOOZKER-UHFFFAOYSA-N
XLogP29.38
TPSA140.82 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002654.93
LogP ≤ 529.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)?
The IUPAC name of ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) (CID 159902428) is ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium).
What is the SMILES notation for ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)?
The canonical SMILES for ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC12CCN(C)CC2.CC(C)N1CCC12CC[N-]C2.CC(C)N1CCC12C[N-]C2.CC(C)N1CCCC12CCN(C)CC2.CC(C)N1CCCC12CC[N-]C2.CC(C)N1CCCC12C[N-]C2.CC(C)N1CCCC2[N-]CCCC21.CC(C)N1CCCCC12CCN(C)CC2.CC(C)N1CCCCC12CC[N-]C2.CC(C)N1CCCCC12C[N-]C2.[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)?
The InChIKey is UBFFCQMJOOZKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2.C11H22N2.2C11H21N2.2C10H19N2.2C9H17N2.C8H15N2.10C2H6.7Y/c1-12(2)15-9-5-4-6-13(15)7-10-14(3)11-8-13;1-11(2)14-8-4-5-12(14)6-9-13(3)10-7-12;1-10(2)13-9-6-11(13)4-7-12(3)8-5-11;1-9(2)13-8-4-5-10-11(13)6-3-7-12-10;1-10(2)13-8-4-3-5-11(13)6-7-12-9-11;1-9(2)12-7-3-4-10(12)5-6-11-8-10;1-9(2)12-6-4-3-5-10(12)7-11-8-10;1-8(2)11-6-4-9(11)3-5-10-7-9;1-8(2)11-5-3-4-9(11)6-10-7-9;1-7(2)10-4-3-8(10)5-9-6-8;10*1-2;;;;;;;/h12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3;;;;;;;/q;;;7*-1;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium)?
ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) has a molecular weight of 2654.93 g/mol, XLogP of 29.38, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-1-propan-2-yl-1,8-diazaspiro[4.5]decane;7-methyl-1-propan-2-yl-1,7-diazaspiro[3.5]nonane;9-methyl-1-propan-2-yl-1,9-diazaspiro[5.5]undecane;1-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-5-ide;6-propan-2-yl-6-aza-2-azanidaspiro[4.5]decane;1-propan-2-yl-1-aza-6-azanidaspiro[3.3]heptane;1-propan-2-yl-1-aza-7-azanidaspiro[4.4]nonane;5-propan-2-yl-5-aza-2-azanidaspiro[3.5]nonane;1-propan-2-yl-1-aza-7-azanidaspiro[3.4]octane;5-propan-2-yl-5-aza-2-azanidaspiro[3.4]octane;heptakis(yttrium) is sourced from PubChem (CID 159902428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).