(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine

C13H17Cl2NO2 — CID 58436798

IUPAC(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine
SMILESCOCCCC/C(=N\OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-17-8-4-3-5-13(16-18-2)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3/b16-13+
InChIKeyMLYNBJUYZNMARG-DTQAZKPQSA-N
MW290.19 g/mol
LogP4.16
Rot. Bonds7

About (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine

(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine (PubChem CID 58436798) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine
PubChem CID58436798
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine
SMILESCOCCCC/C(=N\OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-17-8-4-3-5-13(16-18-2)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3/b16-13+
InChIKeyMLYNBJUYZNMARG-DTQAZKPQSA-N
XLogP4.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine (CID 58436798) is (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine is COCCCC/C(=N\OC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine?
The InChIKey is MLYNBJUYZNMARG-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-17-8-4-3-5-13(16-18-2)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3/b16-13+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine?
(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine has a molecular weight of 290.19 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine is sourced from PubChem (CID 58436798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).