(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine

C17H25NO3 — CID 144625749

IUPAC(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine
SMILESCC/C(=N\C(OCCOC)=C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO3/c1-6-16(14-7-9-15(20-5)10-8-14)18-17(13(2)3)21-12-11-19-4/h7-10H,6,11-12H2,1-5H3/b18-16+
InChIKeyNFDLAVGSLCFIOL-FBMGVBCBSA-N
MW291.39 g/mol
LogP3.81
Rot. Bonds8

About (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine

(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine (PubChem CID 144625749) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine
PubChem CID144625749
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine
SMILESCC/C(=N\C(OCCOC)=C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO3/c1-6-16(14-7-9-15(20-5)10-8-14)18-17(13(2)3)21-12-11-19-4/h7-10H,6,11-12H2,1-5H3/b18-16+
InChIKeyNFDLAVGSLCFIOL-FBMGVBCBSA-N
XLogP3.81
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine?
The IUPAC name of (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine (CID 144625749) is (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine.
What is the SMILES notation for (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine?
The canonical SMILES for (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine is CC/C(=N\C(OCCOC)=C(C)C)c1ccc(OC)cc1.
What is the InChIKey of (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine?
The InChIKey is NFDLAVGSLCFIOL-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-16(14-7-9-15(20-5)10-8-14)18-17(13(2)3)21-12-11-19-4/h7-10H,6,11-12H2,1-5H3/b18-16+.
What are the key properties of (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine?
(E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine has a molecular weight of 291.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-methoxyethoxy)-2-methylprop-1-enyl]-1-(4-methoxyphenyl)propan-1-imine is sourced from PubChem (CID 144625749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).