1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine

C18H39NO9 — CID 87791179

IUPAC1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
SMILESCOCCOCOC(C)N(C(C)OCOCCOC)C(C)OCOCCOC
InChIInChI=1S/C18H39NO9/c1-16(26-13-23-10-7-20-4)19(17(2)27-14-24-11-8-21-5)18(3)28-15-25-12-9-22-6/h16-18H,7-15H2,1-6H3
InChIKeyCOGYAWBWTRAYFZ-UHFFFAOYSA-N
MW413.51 g/mol
LogP1.24
Rot. Bonds21

About 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine

1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine (PubChem CID 87791179) has the molecular formula C18H39NO9 and a molecular weight of 413.51 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
PubChem CID87791179
Molecular FormulaC18H39NO9
Molecular Weight413.51 g/mol
Exact Mass413.26
IUPAC Name1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
SMILESCOCCOCOC(C)N(C(C)OCOCCOC)C(C)OCOCCOC
InChIInChI=1S/C18H39NO9/c1-16(26-13-23-10-7-20-4)19(17(2)27-14-24-11-8-21-5)18(3)28-15-25-12-9-22-6/h16-18H,7-15H2,1-6H3
InChIKeyCOGYAWBWTRAYFZ-UHFFFAOYSA-N
XLogP1.24
TPSA86.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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

1-(methoxymethoxy)-N,N-bis[1-(methoxymethoxy)ethyl]ethanamine
CID 22340887
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
CID 71346102
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
3-(2-methoxyethoxymethoxy)pent-1-yne
CID 12043596
methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
CID 14201885
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine (CID 87791179) is 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine is COCCOCOC(C)N(C(C)OCOCCOC)C(C)OCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine?
The InChIKey is COGYAWBWTRAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO9/c1-16(26-13-23-10-7-20-4)19(17(2)27-14-24-11-8-21-5)18(3)28-15-25-12-9-22-6/h16-18H,7-15H2,1-6H3.
What are the key properties of 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine?
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine has a molecular weight of 413.51 g/mol, XLogP of 1.24, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine is sourced from PubChem (CID 87791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).