2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde

C16H38N2O6 — CID 163400108

IUPAC2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
SMILESCC.CCOCC=O.CNCCOCCOCCOCCOCN
InChIInChI=1S/C10H24N2O4.C4H8O2.C2H6/c1-12-2-3-13-4-5-14-6-7-15-8-9-16-10-11;1-2-6-4-3-5;1-2/h12H,2-11H2,1H3;3H,2,4H2,1H3;1-2H3
InChIKeyVOYIHCHLEYJYKG-UHFFFAOYSA-N
MW354.49 g/mol
LogP0.44
Rot. Bonds16

About 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde

2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde (PubChem CID 163400108) has the molecular formula C16H38N2O6 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde.

Molecular Properties

Compound Name2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
PubChem CID163400108
Molecular FormulaC16H38N2O6
Molecular Weight354.49 g/mol
Exact Mass354.27
IUPAC Name2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde
SMILESCC.CCOCC=O.CNCCOCCOCCOCCOCN
InChIInChI=1S/C10H24N2O4.C4H8O2.C2H6/c1-12-2-3-13-4-5-14-6-7-15-8-9-16-10-11;1-2-6-4-3-5;1-2/h12H,2-11H2,1H3;3H,2,4H2,1H3;1-2H3
InChIKeyVOYIHCHLEYJYKG-UHFFFAOYSA-N
XLogP0.44
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(aminomethoxy)ethoxy]ethoxy]acetaldehyde
CID 118439625
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
CID 177338044
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
calcium;2-ethoxyacetaldehyde;hydride
CID 173410771
acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal
CID 142541837
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
ethane;2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetaldehyde
CID 171646622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde?
The IUPAC name of 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde (CID 163400108) is 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde.
What is the SMILES notation for 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde?
The canonical SMILES for 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde is CC.CCOCC=O.CNCCOCCOCCOCCOCN.
What is the InChIKey of 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde?
The InChIKey is VOYIHCHLEYJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4.C4H8O2.C2H6/c1-12-2-3-13-4-5-14-6-7-15-8-9-16-10-11;1-2-6-4-3-5;1-2/h12H,2-11H2,1H3;3H,2,4H2,1H3;1-2H3.
What are the key properties of 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde?
2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde has a molecular weight of 354.49 g/mol, XLogP of 0.44, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine;ethane;2-ethoxyacetaldehyde is sourced from PubChem (CID 163400108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).