2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol

C15H32N2O4 — CID 118891602

IUPAC2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
SMILESCN(CCOCCOCCO)CCOCCN1CCCC1
InChIInChI=1S/C15H32N2O4/c1-16(7-11-20-14-15-21-13-9-18)6-10-19-12-8-17-4-2-3-5-17/h18H,2-15H2,1H3
InChIKeyCJNRYNYRNHOBFB-UHFFFAOYSA-N
MW304.43 g/mol
LogP0.06
Rot. Bonds14

About 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol

2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol (PubChem CID 118891602) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
PubChem CID118891602
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
SMILESCN(CCOCCOCCO)CCOCCN1CCCC1
InChIInChI=1S/C15H32N2O4/c1-16(7-11-20-14-15-21-13-9-18)6-10-19-12-8-17-4-2-3-5-17/h18H,2-15H2,1H3
InChIKeyCJNRYNYRNHOBFB-UHFFFAOYSA-N
XLogP0.06
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Dibutylamino-ethoxy)-ethanol
CID 174967
Sbb056836
CID 3796382
2,2'-{(Butylazanediyl)bis[(ethane-2,1-diyl)oxy]}di(ethan-1-ol)
CID 13628126
1-Propan-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 15832495
(S)-2-(2-(3-fluoropyrrolidin-1-yl)ethoxy)ethanol
CID 69671666
2-[2-(3-Fluoropyrrolidin-1-yl)ethoxy]ethanol
CID 69671672
2-{2-[2-(Butyl{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}amino)ethoxy]ethoxy}ethan-1-ol
CID 3738725
2-(2-{2-[2-(Hexylmethylamino)ethoxy]ethoxy}ethoxy)ethan-1-ol
CID 5146658
2-(2-{2-[2-(Dibutylamino)ethoxy]ethoxy}ethoxy)ethan-1-ol
CID 5174675
Ethanol, 2-[2-(1-pyrrolidinyl)ethoxy]-
CID 10080651
Butyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
CID 20802450
Butyl-bis[2-(2-hydroxyethoxy)ethyl]-methylazanium
CID 20802452

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol (CID 118891602) is 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol is CN(CCOCCOCCO)CCOCCN1CCCC1.
What is the InChIKey of 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol?
The InChIKey is CJNRYNYRNHOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-16(7-11-20-14-15-21-13-9-18)6-10-19-12-8-17-4-2-3-5-17/h18H,2-15H2,1H3.
What are the key properties of 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol?
2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol has a molecular weight of 304.43 g/mol, XLogP of 0.06, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 118891602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).