2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine

C12H26INO3 — CID 114505577

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
SMILESCCCCOCCOCCOCCNCCI
InChIInChI=1S/C12H26INO3/c1-2-3-7-15-9-11-17-12-10-16-8-6-14-5-4-13/h14H,2-12H2,1H3
InChIKeyADELBWRZIWDMOX-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.86
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine (PubChem CID 114505577) has the molecular formula C12H26INO3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
PubChem CID114505577
Molecular FormulaC12H26INO3
Molecular Weight359.25 g/mol
Exact Mass359.10
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
SMILESCCCCOCCOCCOCCNCCI
InChIInChI=1S/C12H26INO3/c1-2-3-7-15-9-11-17-12-10-16-8-6-14-5-4-13/h14H,2-12H2,1H3
InChIKeyADELBWRZIWDMOX-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine (CID 114505577) is 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine is CCCCOCCOCCOCCNCCI.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine?
The InChIKey is ADELBWRZIWDMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26INO3/c1-2-3-7-15-9-11-17-12-10-16-8-6-14-5-4-13/h14H,2-12H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine has a molecular weight of 359.25 g/mol, XLogP of 1.86, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine is sourced from PubChem (CID 114505577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).