N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide

C10H15N3O2 — CID 61363434

IUPACN-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1cccc(OC)c1OC
InChIInChI=1S/C10H15N3O2/c1-12-10(13-11)7-5-4-6-8(14-2)9(7)15-3/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyXZSKOUUIGNFGDF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.54
Rot. Bonds3

About N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide

N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide (PubChem CID 61363434) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
PubChem CID61363434
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NN)c1cccc(OC)c1OC
InChIInChI=1S/C10H15N3O2/c1-12-10(13-11)7-5-4-6-8(14-2)9(7)15-3/h4-6H,11H2,1-3H3,(H,12,13)
InChIKeyXZSKOUUIGNFGDF-UHFFFAOYSA-N
XLogP0.54
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
2,3-dimethoxybenzamide;hydrate
CID 141005510
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
CID 154085721
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide (CID 61363434) is N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide is C/N=C(\NN)c1cccc(OC)c1OC.
What is the InChIKey of N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide?
The InChIKey is XZSKOUUIGNFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-10(13-11)7-5-4-6-8(14-2)9(7)15-3/h4-6H,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide?
N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide has a molecular weight of 209.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 61363434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).