N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide

C10H15N3O — CID 83531039

IUPACN'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide
SMILESCOc1c(C)cc(C)cc1/C(N)=N/N
InChIInChI=1S/C10H15N3O/c1-6-4-7(2)9(14-3)8(5-6)10(11)13-12/h4-5H,12H2,1-3H3,(H2,11,13)
InChIKeyVDMOHGQRFIJFPB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.89
Rot. Bonds2

About N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide

N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 83531039) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide
PubChem CID83531039
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide
SMILESCOc1c(C)cc(C)cc1/C(N)=N/N
InChIInChI=1S/C10H15N3O/c1-6-4-7(2)9(14-3)8(5-6)10(11)13-12/h4-5H,12H2,1-3H3,(H2,11,13)
InChIKeyVDMOHGQRFIJFPB-UHFFFAOYSA-N
XLogP0.89
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methoxy-N',3,5-trimethylbenzenecarboximidamide
CID 116827784
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide
CID 116820383
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
4-methoxy-3,5-dimethylphenol
CID 643378
1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923528

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide (CID 83531039) is N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide is COc1c(C)cc(C)cc1/C(N)=N/N.
What is the InChIKey of N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is VDMOHGQRFIJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-4-7(2)9(14-3)8(5-6)10(11)13-12/h4-5H,12H2,1-3H3,(H2,11,13).
What are the key properties of N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide?
N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 193.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 83531039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).