ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C60H138N10O — CID 161128435

IUPACethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CC2CC1CN2.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O.C8H16N2.C7H16N2.3C7H15N.7C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-6(2)10-5-7-3-8(10)4-9-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;7*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7*1-2H3
InChIKeyULVZNNTUYIONQL-UHFFFAOYSA-N
MW1015.83 g/mol
LogP11.97
Rot. Bonds6

About ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 161128435) has the molecular formula C60H138N10O and a molecular weight of 1015.83 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID161128435
Molecular FormulaC60H138N10O
Molecular Weight1015.83 g/mol
Exact Mass1015.11
IUPAC Nameethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CC2CC1CN2.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O.C8H16N2.C7H16N2.3C7H15N.7C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-6(2)10-5-7-3-8(10)4-9-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;7*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7*1-2H3
InChIKeyULVZNNTUYIONQL-UHFFFAOYSA-N
XLogP11.97
TPSA102.21 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.83
LogP ≤ 511.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 161128435) is ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CC2CC1CN2.CC(C)N1CCC2(CC1)NCNC2=O.CC(C)N1CCCC1.CC(C)N1CCNCC1.
What is the InChIKey of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ULVZNNTUYIONQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C8H16N2.C7H16N2.3C7H15N.7C2H6/c1-8(2)13-5-3-10(4-6-13)9(14)11-7-12-10;1-6(2)10-5-7-3-8(10)4-9-7;1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;7*1-2/h8,12H,3-7H2,1-2H3,(H,11,14);6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7*1-2H3.
What are the key properties of ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 1015.83 g/mol, XLogP of 11.97, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 161128435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).