2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol

C13H29NO5 — CID 134581965

IUPAC2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
SMILESCNCCOCCOCCCCOCCOCCO
InChIInChI=1S/C13H29NO5/c1-14-4-8-18-12-10-16-6-2-3-7-17-11-13-19-9-5-15/h14-15H,2-13H2,1H3
InChIKeySYBZIDJNWNOHDR-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.04
Rot. Bonds16

About 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol

2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol (PubChem CID 134581965) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
PubChem CID134581965
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
SMILESCNCCOCCOCCCCOCCOCCO
InChIInChI=1S/C13H29NO5/c1-14-4-8-18-12-10-16-6-2-3-7-17-11-13-19-9-5-15/h14-15H,2-13H2,1H3
InChIKeySYBZIDJNWNOHDR-UHFFFAOYSA-N
XLogP0.04
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-[2-(2-fluoroethoxy)ethoxy]-N-methylethanamine
CID 89034998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol (CID 134581965) is 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol is CNCCOCCOCCCCOCCOCCO.
What is the InChIKey of 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol?
The InChIKey is SYBZIDJNWNOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-14-4-8-18-12-10-16-6-2-3-7-17-11-13-19-9-5-15/h14-15H,2-13H2,1H3.
What are the key properties of 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol?
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol has a molecular weight of 279.38 g/mol, XLogP of 0.04, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol is sourced from PubChem (CID 134581965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).