2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine

C34H62N8 — CID 58594538

IUPAC2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
SMILESCC1CCC([C@H]2CC[C@@H](C3CCC([C@H]4CC[C@@H](C5CCC([C@H]6CC[C@@H](C7CCC([C@H]8CCC(C)N8)N7)N6)N5)N4)N3)N2)N1
InChIInChI=1S/C34H62N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h19-42H,3-18H2,1-2H3/t19?,20?,21-,22?,23?,24-,25?,26+,27+,28?,29-,30?,31?,32-,33?,34+/m1/s1
InChIKeyPLPKMCLNAGOJTK-YMOZPMMCSA-N
MW582.93 g/mol
LogP1.99
Rot. Bonds7

About 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine

2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine (PubChem CID 58594538) has the molecular formula C34H62N8 and a molecular weight of 582.93 g/mol. Its IUPAC name is 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
PubChem CID58594538
Molecular FormulaC34H62N8
Molecular Weight582.93 g/mol
Exact Mass582.51
IUPAC Name2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
SMILESCC1CCC([C@H]2CC[C@@H](C3CCC([C@H]4CC[C@@H](C5CCC([C@H]6CC[C@@H](C7CCC([C@H]8CCC(C)N8)N7)N6)N5)N4)N3)N2)N1
InChIInChI=1S/C34H62N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h19-42H,3-18H2,1-2H3/t19?,20?,21-,22?,23?,24-,25?,26+,27+,28?,29-,30?,31?,32-,33?,34+/m1/s1
InChIKeyPLPKMCLNAGOJTK-YMOZPMMCSA-N
XLogP1.99
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.93
LogP ≤ 51.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine?
The IUPAC name of 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine (CID 58594538) is 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine.
What is the SMILES notation for 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine?
The canonical SMILES for 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine is CC1CCC([C@H]2CC[C@@H](C3CCC([C@H]4CC[C@@H](C5CCC([C@H]6CC[C@@H](C7CCC([C@H]8CCC(C)N8)N7)N6)N5)N4)N3)N2)N1.
What is the InChIKey of 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine?
The InChIKey is PLPKMCLNAGOJTK-YMOZPMMCSA-N. The full InChI is InChI=1S/C34H62N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h19-42H,3-18H2,1-2H3/t19?,20?,21-,22?,23?,24-,25?,26+,27+,28?,29-,30?,31?,32-,33?,34+/m1/s1.
What are the key properties of 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine?
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine has a molecular weight of 582.93 g/mol, XLogP of 1.99, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine is sourced from PubChem (CID 58594538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).