N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine

C18H23NO3 — CID 170196652

IUPACN-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine
SMILESC=CCOc1cc(OCC=C)c(N=C(C)C)c(OCC=C)c1
InChIInChI=1S/C18H23NO3/c1-6-9-20-15-12-16(21-10-7-2)18(19-14(4)5)17(13-15)22-11-8-3/h6-8,12-13H,1-3,9-11H2,4-5H3
InChIKeyGJKSZULXEXZCOR-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.49
Rot. Bonds10

About N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine

N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine (PubChem CID 170196652) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine.

Molecular Properties

Compound NameN-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine
PubChem CID170196652
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine
SMILESC=CCOc1cc(OCC=C)c(N=C(C)C)c(OCC=C)c1
InChIInChI=1S/C18H23NO3/c1-6-9-20-15-12-16(21-10-7-2)18(19-14(4)5)17(13-15)22-11-8-3/h6-8,12-13H,1-3,9-11H2,4-5H3
InChIKeyGJKSZULXEXZCOR-UHFFFAOYSA-N
XLogP4.49
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one
CID 86718660
2,6-dimethyl-4-prop-2-enoxypyridine
CID 119093148
1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 4575750
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[4-(2,6-diethyl-4-prop-2-enoxyphenoxy)butoxy]propan-2-imine
CID 22963731
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
(2-cyano-3-fluoro-5-prop-2-enoxyphenyl) acetate
CID 23294842
2-[2-[2-ethyl-3,5-bis(prop-2-enoxy)phenyl]ethoxy]ethanol
CID 23116198
magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide
CID 91656400
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
hydroxy-[4-[hydroxy(dimethyl)silyl]-2,5-bis(prop-2-enoxy)phenyl]-dimethylsilane
CID 102325497
1-(2-acetyl-5-hydroxy-6-methyl-3-prop-2-enoxyphenyl)ethanone
CID 58521102

Frequently Asked Questions

What is the IUPAC name of N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine?
The IUPAC name of N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine (CID 170196652) is N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine.
What is the SMILES notation for N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine?
The canonical SMILES for N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine is C=CCOc1cc(OCC=C)c(N=C(C)C)c(OCC=C)c1.
What is the InChIKey of N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine?
The InChIKey is GJKSZULXEXZCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-6-9-20-15-12-16(21-10-7-2)18(19-14(4)5)17(13-15)22-11-8-3/h6-8,12-13H,1-3,9-11H2,4-5H3.
What are the key properties of N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine?
N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine has a molecular weight of 301.39 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4,6-tris(prop-2-enoxy)phenyl]propan-2-imine is sourced from PubChem (CID 170196652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).