N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

C18H28IN3O4 — CID 75364742

IUPACN-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\Cc1ccc(OC)c(OC)c1OC)N1CCOCC1.I
InChIInChI=1S/C18H27N3O4.HI/c1-5-8-19-18(21-9-11-25-12-10-21)20-13-14-6-7-15(22-2)17(24-4)16(14)23-3;/h5-7H,1,8-13H2,2-4H3,(H,19,20);1H
InChIKeyJCHDIHFPLRXIER-UHFFFAOYSA-N
MW477.34 g/mol
LogP2.29
Rot. Bonds7

About N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 75364742) has the molecular formula C18H28IN3O4 and a molecular weight of 477.34 g/mol. Its IUPAC name is N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID75364742
Molecular FormulaC18H28IN3O4
Molecular Weight477.34 g/mol
Exact Mass477.11
IUPAC NameN-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\Cc1ccc(OC)c(OC)c1OC)N1CCOCC1.I
InChIInChI=1S/C18H27N3O4.HI/c1-5-8-19-18(21-9-11-25-12-10-21)20-13-14-6-7-15(22-2)17(24-4)16(14)23-3;/h5-7H,1,8-13H2,2-4H3,(H,19,20);1H
InChIKeyJCHDIHFPLRXIER-UHFFFAOYSA-N
XLogP2.29
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-ethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110959514
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110971584
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
1-prop-2-enyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 136523766
N-ethyl-3-phenyl-N'-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723388
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746722
ethyl 4-[N-ethyl-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164552
1-(2-methylpropyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051895
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111133563
1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051903
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 109382907

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 75364742) is N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is C=CCN/C(=N\Cc1ccc(OC)c(OC)c1OC)N1CCOCC1.I.
What is the InChIKey of N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is JCHDIHFPLRXIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.HI/c1-5-8-19-18(21-9-11-25-12-10-21)20-13-14-6-7-15(22-2)17(24-4)16(14)23-3;/h5-7H,1,8-13H2,2-4H3,(H,19,20);1H.
What are the key properties of N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 477.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-[(2,3,4-trimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75364742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).