N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide

C12H19N3O2 — CID 62543831

IUPACN-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cc(C)ccc1OC
InChIInChI=1S/C12H19N3O2/c1-9-4-5-11(17-3)10(8-9)12(15-13)14-6-7-16-2/h4-5,8H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyRHDCOEHYESJNRB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds5

About N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide

N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide (PubChem CID 62543831) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
PubChem CID62543831
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cc(C)ccc1OC
InChIInChI=1S/C12H19N3O2/c1-9-4-5-11(17-3)10(8-9)12(15-13)14-6-7-16-2/h4-5,8H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyRHDCOEHYESJNRB-UHFFFAOYSA-N
XLogP0.86
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543990
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62543676
2-(2-methoxyethyl)-1-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 110913472
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
N-amino-N'-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboximidamide
CID 62543345
N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide
CID 62544328
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 62543670
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473

Frequently Asked Questions

What is the IUPAC name of N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The IUPAC name of N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide (CID 62543831) is N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide is COCC/N=C(\NN)c1cc(C)ccc1OC.
What is the InChIKey of N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
The InChIKey is RHDCOEHYESJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-4-5-11(17-3)10(8-9)12(15-13)14-6-7-16-2/h4-5,8H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide?
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide has a molecular weight of 237.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 62543831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).