3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine

C26H40N2O6 — CID 22088967

IUPAC3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
SMILESCOCCOCOC(C(N)Cc1ccccc1)C(OCOCCOC)C(N)Cc1ccccc1
InChIInChI=1S/C26H40N2O6/c1-29-13-15-31-19-33-25(23(27)17-21-9-5-3-6-10-21)26(34-20-32-16-14-30-2)24(28)18-22-11-7-4-8-12-22/h3-12,23-26H,13-20,27-28H2,1-2H3
InChIKeyXFLASAGWGFREET-UHFFFAOYSA-N
MW476.61 g/mol
LogP2.14
Rot. Bonds19

About 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine

3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine (PubChem CID 22088967) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine.

Molecular Properties

Compound Name3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
PubChem CID22088967
Molecular FormulaC26H40N2O6
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Name3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
SMILESCOCCOCOC(C(N)Cc1ccccc1)C(OCOCCOC)C(N)Cc1ccccc1
InChIInChI=1S/C26H40N2O6/c1-29-13-15-31-19-33-25(23(27)17-21-9-5-3-6-10-21)26(34-20-32-16-14-30-2)24(28)18-22-11-7-4-8-12-22/h3-12,23-26H,13-20,27-28H2,1-2H3
InChIKeyXFLASAGWGFREET-UHFFFAOYSA-N
XLogP2.14
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine?
The IUPAC name of 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine (CID 22088967) is 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine.
What is the SMILES notation for 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine?
The canonical SMILES for 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine is COCCOCOC(C(N)Cc1ccccc1)C(OCOCCOC)C(N)Cc1ccccc1.
What is the InChIKey of 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine?
The InChIKey is XFLASAGWGFREET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-29-13-15-31-19-33-25(23(27)17-21-9-5-3-6-10-21)26(34-20-32-16-14-30-2)24(28)18-22-11-7-4-8-12-22/h3-12,23-26H,13-20,27-28H2,1-2H3.
What are the key properties of 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine?
3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine has a molecular weight of 476.61 g/mol, XLogP of 2.14, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine is sourced from PubChem (CID 22088967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).