N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide

C11H17N3O2 — CID 62542671

IUPACN-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1ccccc1OC
InChIInChI=1S/C11H17N3O2/c1-15-8-7-13-11(14-12)9-5-3-4-6-10(9)16-2/h3-6H,7-8,12H2,1-2H3,(H,13,14)
InChIKeyKLWPTHLTFHZUOF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds5

About N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide

N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 62542671) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID62542671
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1ccccc1OC
InChIInChI=1S/C11H17N3O2/c1-15-8-7-13-11(14-12)9-5-3-4-6-10(9)16-2/h3-6H,7-8,12H2,1-2H3,(H,13,14)
InChIKeyKLWPTHLTFHZUOF-UHFFFAOYSA-N
XLogP0.55
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
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-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62543676
N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544326
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
2-methoxybenzohydrazide
CID 24051
N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543990
N-amino-N'-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboximidamide
CID 62543345
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
CID 65215060
1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
CID 116511618
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 62543670
N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
CID 61363434
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide (CID 62542671) is N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\NN)c1ccccc1OC.
What is the InChIKey of N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is KLWPTHLTFHZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-8-7-13-11(14-12)9-5-3-4-6-10(9)16-2/h3-6H,7-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 223.28 g/mol, XLogP of 0.55, 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)benzenecarboximidamide is sourced from PubChem (CID 62542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).