ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine

C97H201N13O6 — CID 158630068

IUPACethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1=O.CC(C)n1ccc2ccccc21.CC(C)n1cnccc1=O.CC(C)n1ncccc1=O
InChIInChI=1S/C11H13N.C8H15NO.2C8H17N.2C7H10N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.10C2H6/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-4-3-5-8(9)10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-5-8-4-3-7(9)10;1-6(2)9-7(10)4-3-5-8-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-3-4-10-5-7(8)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;10*1-2/h3-9H,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*3-6H,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3
InChIKeyHZBSFCWGVCXNGH-UHFFFAOYSA-N
MW1645.76 g/mol
LogP23.07
Rot. Bonds10

About ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine

ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine (PubChem CID 158630068) has the molecular formula C97H201N13O6 and a molecular weight of 1645.76 g/mol. Its IUPAC name is ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine
PubChem CID158630068
Molecular FormulaC97H201N13O6
Molecular Weight1645.76 g/mol
Exact Mass1644.58
IUPAC Nameethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1=O.CC(C)n1ccc2ccccc21.CC(C)n1cnccc1=O.CC(C)n1ncccc1=O
InChIInChI=1S/C11H13N.C8H15NO.2C8H17N.2C7H10N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.10C2H6/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-4-3-5-8(9)10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-5-8-4-3-7(9)10;1-6(2)9-7(10)4-3-5-8-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-3-4-10-5-7(8)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;10*1-2/h3-9H,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*3-6H,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3
InChIKeyHZBSFCWGVCXNGH-UHFFFAOYSA-N
XLogP23.07
TPSA162.02 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.76
LogP ≤ 523.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine (CID 158630068) is ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC1=O.CC(C)n1ccc2ccccc21.CC(C)n1cnccc1=O.CC(C)n1ncccc1=O.
What is the InChIKey of ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine?
The InChIKey is HZBSFCWGVCXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C8H15NO.2C8H17N.2C7H10N2O.C7H16N2.C7H13NO2.C7H15NO.C7H15N.10C2H6/c1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-4-3-5-8(9)10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-5-8-4-3-7(9)10;1-6(2)9-7(10)4-3-5-8-9;1-7(2)9-5-3-8-4-6-9;1-6(2)8-3-4-10-5-7(8)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;10*1-2/h3-9H,1-2H3;7H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*3-6H,1-2H3;7-8H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;10*1-2H3.
What are the key properties of ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine?
ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine has a molecular weight of 1645.76 g/mol, XLogP of 23.07, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylindole;4-propan-2-ylmorpholine;4-propan-2-ylmorpholin-3-one;1-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridazin-3-one;3-propan-2-ylpyrimidin-4-one;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158630068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).