3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine

C30H51N3O3 — CID 122415015

IUPAC3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(Oc2cc(OC3CC(C)(C)NC3(C)C)cc(OC3CC(C)(C)NC3(C)C)c2)C(C)(C)N1
InChIInChI=1S/C30H51N3O3/c1-25(2)16-22(28(7,8)31-25)34-19-13-20(35-23-17-26(3,4)32-29(23,9)10)15-21(14-19)36-24-18-27(5,6)33-30(24,11)12/h13-15,22-24,31-33H,16-18H2,1-12H3
InChIKeyDTUUOXYYWHRQGB-UHFFFAOYSA-N
MW501.76 g/mol
LogP5.58
Rot. Bonds6

About 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine

3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine (PubChem CID 122415015) has the molecular formula C30H51N3O3 and a molecular weight of 501.76 g/mol. Its IUPAC name is 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine
PubChem CID122415015
Molecular FormulaC30H51N3O3
Molecular Weight501.76 g/mol
Exact Mass501.39
IUPAC Name3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(Oc2cc(OC3CC(C)(C)NC3(C)C)cc(OC3CC(C)(C)NC3(C)C)c2)C(C)(C)N1
InChIInChI=1S/C30H51N3O3/c1-25(2)16-22(28(7,8)31-25)34-19-13-20(35-23-17-26(3,4)32-29(23,9)10)15-21(14-19)36-24-18-27(5,6)33-30(24,11)12/h13-15,22-24,31-33H,16-18H2,1-12H3
InChIKeyDTUUOXYYWHRQGB-UHFFFAOYSA-N
XLogP5.58
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine (CID 122415015) is 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine is CC1(C)CC(Oc2cc(OC3CC(C)(C)NC3(C)C)cc(OC3CC(C)(C)NC3(C)C)c2)C(C)(C)N1.
What is the InChIKey of 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is DTUUOXYYWHRQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O3/c1-25(2)16-22(28(7,8)31-25)34-19-13-20(35-23-17-26(3,4)32-29(23,9)10)15-21(14-19)36-24-18-27(5,6)33-30(24,11)12/h13-15,22-24,31-33H,16-18H2,1-12H3.
What are the key properties of 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine?
3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 501.76 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 122415015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).