tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid

C46H102N4O14 — CID 173173629

IUPACtetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.COCCNCCOC.COCCNCCOC.COCCNCCOC.COCCNCCOC.O=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4.C11H22O2.4C6H15NO2/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;4*1-8-5-3-7-4-6-9-2/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);4*7H,3-6H2,1-2H3
InChIKeySBCFJYBUGHVTSV-UHFFFAOYSA-N
MW935.34 g/mol
LogP5.74
Rot. Bonds43

About tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid

tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid (PubChem CID 173173629) has the molecular formula C46H102N4O14 and a molecular weight of 935.34 g/mol. Its IUPAC name is tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid.

Molecular Properties

Compound Nametetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid
PubChem CID173173629
Molecular FormulaC46H102N4O14
Molecular Weight935.34 g/mol
Exact Mass934.74
IUPAC Nametetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.COCCNCCOC.COCCNCCOC.COCCNCCOC.COCCNCCOC.O=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4.C11H22O2.4C6H15NO2/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;4*1-8-5-3-7-4-6-9-2/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);4*7H,3-6H2,1-2H3
InChIKeySBCFJYBUGHVTSV-UHFFFAOYSA-N
XLogP5.74
TPSA233.86 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds43
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500935.34
LogP ≤ 55.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
N-butylbutan-1-amine;octanoic acid
CID 53326963
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
1-(2-methoxyethylamino)tetradecan-2-one
CID 116591607
N-butylbutan-1-amine;decanedioic acid
CID 159923840

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid?
The IUPAC name of tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid (CID 173173629) is tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid.
What is the SMILES notation for tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid?
The canonical SMILES for tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid is CCCCCCCCCCC(=O)O.COCCNCCOC.COCCNCCOC.COCCNCCOC.COCCNCCOC.O=C(O)CCCCCCCCCC(=O)O.
What is the InChIKey of tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid?
The InChIKey is SBCFJYBUGHVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4.C11H22O2.4C6H15NO2/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;1-2-3-4-5-6-7-8-9-10-11(12)13;4*1-8-5-3-7-4-6-9-2/h1-9H2,(H,12,13)(H,14,15);2-10H2,1H3,(H,12,13);4*7H,3-6H2,1-2H3.
What are the key properties of tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid?
tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid has a molecular weight of 935.34 g/mol, XLogP of 5.74, 43 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid is sourced from PubChem (CID 173173629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).