1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol

C14H29NO4 — CID 114338597

IUPAC1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOCCOCCOCCN1CCCC1CC(C)O
InChIInChI=1S/C14H29NO4/c1-13(16)12-14-4-3-5-15(14)6-7-18-10-11-19-9-8-17-2/h13-14,16H,3-12H2,1-2H3
InChIKeyXRZUHUILHSRDFL-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.90
Rot. Bonds11

About 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 114338597) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID114338597
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOCCOCCOCCN1CCCC1CC(C)O
InChIInChI=1S/C14H29NO4/c1-13(16)12-14-4-3-5-15(14)6-7-18-10-11-19-9-8-17-2/h13-14,16H,3-12H2,1-2H3
InChIKeyXRZUHUILHSRDFL-UHFFFAOYSA-N
XLogP0.90
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol (CID 114338597) is 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol is COCCOCCOCCN1CCCC1CC(C)O.
What is the InChIKey of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is XRZUHUILHSRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-13(16)12-14-4-3-5-15(14)6-7-18-10-11-19-9-8-17-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 0.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).