(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine

C26H51N3 — CID 134332136

IUPAC(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine
SMILESCC(C)[C@H]1NCC[C@H]1CCN1CC[C@@H](CCN2CC[C@@H](C)[C@H]2C(C)C)[C@@H]1C(C)C
InChIInChI=1S/C26H51N3/c1-18(2)24-22(8-13-27-24)10-15-29-17-12-23(26(29)20(5)6)11-16-28-14-9-21(7)25(28)19(3)4/h18-27H,8-17H2,1-7H3/t21-,22+,23-,24-,25-,26+/m1/s1
InChIKeyLDRMQIKYCMMXQE-CNGGBCMRSA-N
MW405.72 g/mol
LogP5.11
Rot. Bonds9

About (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine

(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine (PubChem CID 134332136) has the molecular formula C26H51N3 and a molecular weight of 405.72 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine
PubChem CID134332136
Molecular FormulaC26H51N3
Molecular Weight405.72 g/mol
Exact Mass405.41
IUPAC Name(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine
SMILESCC(C)[C@H]1NCC[C@H]1CCN1CC[C@@H](CCN2CC[C@@H](C)[C@H]2C(C)C)[C@@H]1C(C)C
InChIInChI=1S/C26H51N3/c1-18(2)24-22(8-13-27-24)10-15-29-17-12-23(26(29)20(5)6)11-16-28-14-9-21(7)25(28)19(3)4/h18-27H,8-17H2,1-7H3/t21-,22+,23-,24-,25-,26+/m1/s1
InChIKeyLDRMQIKYCMMXQE-CNGGBCMRSA-N
XLogP5.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.72
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine?
The IUPAC name of (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine (CID 134332136) is (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine.
What is the SMILES notation for (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine?
The canonical SMILES for (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine is CC(C)[C@H]1NCC[C@H]1CCN1CC[C@@H](CCN2CC[C@@H](C)[C@H]2C(C)C)[C@@H]1C(C)C.
What is the InChIKey of (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine?
The InChIKey is LDRMQIKYCMMXQE-CNGGBCMRSA-N. The full InChI is InChI=1S/C26H51N3/c1-18(2)24-22(8-13-27-24)10-15-29-17-12-23(26(29)20(5)6)11-16-28-14-9-21(7)25(28)19(3)4/h18-27H,8-17H2,1-7H3/t21-,22+,23-,24-,25-,26+/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine?
(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine has a molecular weight of 405.72 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine is sourced from PubChem (CID 134332136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).