2,5-bis[(dimethylamino)methoxy]terephthalaldehyde

C14H20N2O4 — CID 130416987

IUPAC2,5-bis[(dimethylamino)methoxy]terephthalaldehyde
SMILESCN(C)COc1cc(C=O)c(OCN(C)C)cc1C=O
InChIInChI=1S/C14H20N2O4/c1-15(2)9-19-13-5-12(8-18)14(6-11(13)7-17)20-10-16(3)4/h5-8H,9-10H2,1-4H3
InChIKeyBGSDADXPKBBMJI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.11
Rot. Bonds8

About 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde

2,5-bis[(dimethylamino)methoxy]terephthalaldehyde (PubChem CID 130416987) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde.

Molecular Properties

Compound Name2,5-bis[(dimethylamino)methoxy]terephthalaldehyde
PubChem CID130416987
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,5-bis[(dimethylamino)methoxy]terephthalaldehyde
SMILESCN(C)COc1cc(C=O)c(OCN(C)C)cc1C=O
InChIInChI=1S/C14H20N2O4/c1-15(2)9-19-13-5-12(8-18)14(6-11(13)7-17)20-10-16(3)4/h5-8H,9-10H2,1-4H3
InChIKeyBGSDADXPKBBMJI-UHFFFAOYSA-N
XLogP1.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde?
The IUPAC name of 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde (CID 130416987) is 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde.
What is the SMILES notation for 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde?
The canonical SMILES for 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde is CN(C)COc1cc(C=O)c(OCN(C)C)cc1C=O.
What is the InChIKey of 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde?
The InChIKey is BGSDADXPKBBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15(2)9-19-13-5-12(8-18)14(6-11(13)7-17)20-10-16(3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde?
2,5-bis[(dimethylamino)methoxy]terephthalaldehyde has a molecular weight of 280.32 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(dimethylamino)methoxy]terephthalaldehyde is sourced from PubChem (CID 130416987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).