N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide

C13H18N2O2 — CID 70338241

IUPACN'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide
SMILESC/C=C(\N=C(/C)N)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18N2O2/c1-5-12(15-9(2)14)11-8-10(16-3)6-7-13(11)17-4/h5-8H,1-4H3,(H2,14,15)/b12-5-
InChIKeyFKZZAPVXFIGNPP-XGICHPGQSA-N
MW234.30 g/mol
LogP2.44
Rot. Bonds4

About N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide

N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide (PubChem CID 70338241) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide
PubChem CID70338241
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide
SMILESC/C=C(\N=C(/C)N)c1cc(OC)ccc1OC
InChIInChI=1S/C13H18N2O2/c1-5-12(15-9(2)14)11-8-10(16-3)6-7-13(11)17-4/h5-8H,1-4H3,(H2,14,15)/b12-5-
InChIKeyFKZZAPVXFIGNPP-XGICHPGQSA-N
XLogP2.44
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
CID 82076703
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
1-(2,5-dimethoxyphenyl)-3-methylbut-2-en-1-one
CID 14222811
1-(diaminomethylidene)-2-(2,5-dimethoxyphenyl)guanidine
CID 2968809
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
2-(2,5-dimethoxyphenyl)-3-methylbut-2-enenitrile
CID 82078956
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide (CID 70338241) is N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide is C/C=C(\N=C(/C)N)c1cc(OC)ccc1OC.
What is the InChIKey of N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide?
The InChIKey is FKZZAPVXFIGNPP-XGICHPGQSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-12(15-9(2)14)11-8-10(16-3)6-7-13(11)17-4/h5-8H,1-4H3,(H2,14,15)/b12-5-.
What are the key properties of N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide?
N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide has a molecular weight of 234.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 70338241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).