(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine

C12H24N2O4 — CID 5380761

IUPAC(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine
SMILESCOCC/C(COC)=N/N=C(\CCOC)COC
InChIInChI=1S/C12H24N2O4/c1-15-7-5-11(9-17-3)13-14-12(10-18-4)6-8-16-2/h5-10H2,1-4H3/b13-11-,14-12+
InChIKeyXCWCLBRSXCSTQM-HEEUSZRZSA-N
MW260.33 g/mol
LogP1.15
Rot. Bonds11

About (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine

(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine (PubChem CID 5380761) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine
PubChem CID5380761
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine
SMILESCOCC/C(COC)=N/N=C(\CCOC)COC
InChIInChI=1S/C12H24N2O4/c1-15-7-5-11(9-17-3)13-14-12(10-18-4)6-8-16-2/h5-10H2,1-4H3/b13-11-,14-12+
InChIKeyXCWCLBRSXCSTQM-HEEUSZRZSA-N
XLogP1.15
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine?
The IUPAC name of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine (CID 5380761) is (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine.
What is the SMILES notation for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine?
The canonical SMILES for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine is COCC/C(COC)=N/N=C(\CCOC)COC.
What is the InChIKey of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine?
The InChIKey is XCWCLBRSXCSTQM-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-15-7-5-11(9-17-3)13-14-12(10-18-4)6-8-16-2/h5-10H2,1-4H3/b13-11-,14-12+.
What are the key properties of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine?
(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine has a molecular weight of 260.33 g/mol, XLogP of 1.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine is sourced from PubChem (CID 5380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).