2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide

C16H35Br2NO7 — CID 164887540

IUPAC2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
SMILESBr.NCCOCCOCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C16H34BrNO7.BrH/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;/h1-16,18H2;1H
InChIKeyMZCXXNFWQNGDJA-UHFFFAOYSA-N
MW513.26 g/mol
LogP1.03
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide

2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide (PubChem CID 164887540) has the molecular formula C16H35Br2NO7 and a molecular weight of 513.26 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
PubChem CID164887540
Molecular FormulaC16H35Br2NO7
Molecular Weight513.26 g/mol
Exact Mass511.08
IUPAC Name2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
SMILESBr.NCCOCCOCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C16H34BrNO7.BrH/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;/h1-16,18H2;1H
InChIKeyMZCXXNFWQNGDJA-UHFFFAOYSA-N
XLogP1.03
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy thiohypoiodite
CID 167030771
CID 172894425
CID 172894425
ethane;2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365421
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
CID 176727323
CID 176727323
1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159080030
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide (CID 164887540) is 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide is Br.NCCOCCOCCOCCOCCOCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide?
The InChIKey is MZCXXNFWQNGDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BrNO7.BrH/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;/h1-16,18H2;1H.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide?
2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide has a molecular weight of 513.26 g/mol, XLogP of 1.03, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide is sourced from PubChem (CID 164887540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).