[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium

C13H28N3O6+ — CID 163666020

IUPAC[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium
SMILESCNCCOCCOCCOCCNC(=O)COCC([NH3+])=O
InChIInChI=1S/C13H27N3O6/c1-15-2-4-19-6-8-21-9-7-20-5-3-16-13(18)11-22-10-12(14)17/h15H,2-11H2,1H3,(H2,14,17)(H,16,18)/p+1
InChIKeyIYNAJWQAKQSURF-UHFFFAOYSA-O
MW322.38 g/mol
LogP-2.84
Rot. Bonds16

About [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium

[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium (PubChem CID 163666020) has the molecular formula C13H28N3O6+ and a molecular weight of 322.38 g/mol. Its IUPAC name is [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium.

Molecular Properties

Compound Name[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium
PubChem CID163666020
Molecular FormulaC13H28N3O6+
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC Name[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium
SMILESCNCCOCCOCCOCCNC(=O)COCC([NH3+])=O
InChIInChI=1S/C13H27N3O6/c1-15-2-4-19-6-8-21-9-7-20-5-3-16-13(18)11-22-10-12(14)17/h15H,2-11H2,1H3,(H2,14,17)(H,16,18)/p+1
InChIKeyIYNAJWQAKQSURF-UHFFFAOYSA-O
XLogP-2.84
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 5-2.84
H-Bond Donors ≤ 53
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-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium?
The IUPAC name of [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium (CID 163666020) is [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium.
What is the SMILES notation for [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium?
The canonical SMILES for [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium is CNCCOCCOCCOCCNC(=O)COCC([NH3+])=O.
What is the InChIKey of [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium?
The InChIKey is IYNAJWQAKQSURF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H27N3O6/c1-15-2-4-19-6-8-21-9-7-20-5-3-16-13(18)11-22-10-12(14)17/h15H,2-11H2,1H3,(H2,14,17)(H,16,18)/p+1.
What are the key properties of [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium?
[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium has a molecular weight of 322.38 g/mol, XLogP of -2.84, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]azanium is sourced from PubChem (CID 163666020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).