3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine

C26H51N3O3 — CID 122415006

IUPAC3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(OCC(OC2CC(C)(C)NC2(C)C)OC2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C26H51N3O3/c1-21(2)13-17(24(7,8)27-21)30-16-20(31-18-14-22(3,4)28-25(18,9)10)32-19-15-23(5,6)29-26(19,11)12/h17-20,27-29H,13-16H2,1-12H3
InChIKeyPMYWJPREWYRHCN-UHFFFAOYSA-N
MW453.71 g/mol
LogP4.12
Rot. Bonds7

About 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine

3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine (PubChem CID 122415006) has the molecular formula C26H51N3O3 and a molecular weight of 453.71 g/mol. Its IUPAC name is 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine
PubChem CID122415006
Molecular FormulaC26H51N3O3
Molecular Weight453.71 g/mol
Exact Mass453.39
IUPAC Name3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine
SMILESCC1(C)CC(OCC(OC2CC(C)(C)NC2(C)C)OC2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C26H51N3O3/c1-21(2)13-17(24(7,8)27-21)30-16-20(31-18-14-22(3,4)28-25(18,9)10)32-19-15-23(5,6)29-26(19,11)12/h17-20,27-29H,13-16H2,1-12H3
InChIKeyPMYWJPREWYRHCN-UHFFFAOYSA-N
XLogP4.12
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.71
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[3,5-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]phenoxy]-2,2,5,5-tetramethylpyrrolidine
CID 122415015
tris(2,2,5,5-tetramethylpyrrolidin-3-yl) benzene-1,3,5-tricarboxylate
CID 122415011
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
CID 142047447
3-iodo-2,2,5,5-tetramethylpyrrolidine
CID 20671068
2-methyl-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propan-2-amine
CID 135283539
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154
2,2,3,4,6,6-hexamethylpiperidine
CID 155722674
1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 141097112
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
2,2,6,6-tetramethyl-N-(3-methylbutyl)piperidin-4-amine
CID 28674820
7-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723922
1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-ol
CID 84669054

Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine (CID 122415006) is 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine is CC1(C)CC(OCC(OC2CC(C)(C)NC2(C)C)OC2CC(C)(C)NC2(C)C)C(C)(C)N1.
What is the InChIKey of 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is PMYWJPREWYRHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3O3/c1-21(2)13-17(24(7,8)27-21)30-16-20(31-18-14-22(3,4)28-25(18,9)10)32-19-15-23(5,6)29-26(19,11)12/h17-20,27-29H,13-16H2,1-12H3.
What are the key properties of 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine?
3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 453.71 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]ethoxy]-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 122415006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).