3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine

C13H27NO5 — CID 174316018

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine
SMILESC=C(COCCOCCOCCOCCOC)NC
InChIInChI=1S/C13H27NO5/c1-13(14-2)12-19-11-10-18-9-8-17-7-6-16-5-4-15-3/h14H,1,4-12H2,2-3H3
InChIKeyGSSTVNVBOWPXHZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.43
Rot. Bonds15

About 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine (PubChem CID 174316018) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine
PubChem CID174316018
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine
SMILESC=C(COCCOCCOCCOCCOC)NC
InChIInChI=1S/C13H27NO5/c1-13(14-2)12-19-11-10-18-9-8-17-7-6-16-5-4-15-3/h14H,1,4-12H2,2-3H3
InChIKeyGSSTVNVBOWPXHZ-UHFFFAOYSA-N
XLogP0.43
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine (CID 174316018) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine is C=C(COCCOCCOCCOCCOC)NC.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine?
The InChIKey is GSSTVNVBOWPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-13(14-2)12-19-11-10-18-9-8-17-7-6-16-5-4-15-3/h14H,1,4-12H2,2-3H3.
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine has a molecular weight of 277.36 g/mol, XLogP of 0.43, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 174316018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).