2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol

C16H35NO6 — CID 3738725

IUPAC2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
SMILESCCCCN(CCOCCOCCO)CCOCCOCCO
InChIInChI=1S/C16H35NO6/c1-2-3-4-17(5-9-20-13-15-22-11-7-18)6-10-21-14-16-23-12-8-19/h18-19H,2-16H2,1H3
InChIKeyPEITZQDQYNFNIF-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.14
Rot. Bonds19

About 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol

2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol (PubChem CID 3738725) has the molecular formula C16H35NO6 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
PubChem CID3738725
Molecular FormulaC16H35NO6
Molecular Weight337.46 g/mol
Exact Mass337.25
IUPAC Name2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
SMILESCCCCN(CCOCCOCCO)CCOCCOCCO
InChIInChI=1S/C16H35NO6/c1-2-3-4-17(5-9-20-13-15-22-11-7-18)6-10-21-14-16-23-12-8-19/h18-19H,2-16H2,1H3
InChIKeyPEITZQDQYNFNIF-UHFFFAOYSA-N
XLogP0.14
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol (CID 3738725) is 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol is CCCCN(CCOCCOCCO)CCOCCOCCO.
What is the InChIKey of 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?
The InChIKey is PEITZQDQYNFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO6/c1-2-3-4-17(5-9-20-13-15-22-11-7-18)6-10-21-14-16-23-12-8-19/h18-19H,2-16H2,1H3.
What are the key properties of 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?
2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol has a molecular weight of 337.46 g/mol, XLogP of 0.14, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[butyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 3738725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).