2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine

C12H27NO5 — CID 146320426

IUPAC2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
SMILESCOCCOCCOCCCOCCOCCN
InChIInChI=1S/C12H27NO5/c1-14-7-8-18-12-10-16-5-2-4-15-9-11-17-6-3-13/h2-13H2,1H3
InChIKeyQOHWEMWPVNUOTA-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.05
Rot. Bonds15

About 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine

2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine (PubChem CID 146320426) has the molecular formula C12H27NO5 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
PubChem CID146320426
Molecular FormulaC12H27NO5
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
SMILESCOCCOCCOCCCOCCOCCN
InChIInChI=1S/C12H27NO5/c1-14-7-8-18-12-10-16-5-2-4-15-9-11-17-6-3-13/h2-13H2,1H3
InChIKeyQOHWEMWPVNUOTA-UHFFFAOYSA-N
XLogP0.05
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.05
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-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;pentane
CID 170966597
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine (CID 146320426) is 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine is COCCOCCOCCCOCCOCCN.
What is the InChIKey of 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine?
The InChIKey is QOHWEMWPVNUOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5/c1-14-7-8-18-12-10-16-5-2-4-15-9-11-17-6-3-13/h2-13H2,1H3.
What are the key properties of 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine?
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 0.05, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine is sourced from PubChem (CID 146320426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).