N'-amino-2-(methoxymethyl)benzenecarboximidamide

C9H13N3O — CID 77073813

IUPACN'-amino-2-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccccc1C(N)=NN
InChIInChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12)
InChIKeyAEUPMJXZJLMFJE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.41
Rot. Bonds3

About N'-amino-2-(methoxymethyl)benzenecarboximidamide

N'-amino-2-(methoxymethyl)benzenecarboximidamide (PubChem CID 77073813) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N'-amino-2-(methoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-(methoxymethyl)benzenecarboximidamide
PubChem CID77073813
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN'-amino-2-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccccc1C(N)=NN
InChIInChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12)
InChIKeyAEUPMJXZJLMFJE-UHFFFAOYSA-N
XLogP0.41
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.41
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

N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
propyl 2-(methoxymethyl)benzoate
CID 78862382
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
(1Z)-N-methoxy-2-(methoxymethyl)benzenecarboximidoyl chloride
CID 18713744
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
N,2-bis(methoxymethyl)benzamide
CID 91153220
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
1-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 62359144

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(methoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-amino-2-(methoxymethyl)benzenecarboximidamide (CID 77073813) is N'-amino-2-(methoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-amino-2-(methoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-amino-2-(methoxymethyl)benzenecarboximidamide is COCc1ccccc1C(N)=NN.
What is the InChIKey of N'-amino-2-(methoxymethyl)benzenecarboximidamide?
The InChIKey is AEUPMJXZJLMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-6-7-4-2-3-5-8(7)9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12).
What are the key properties of N'-amino-2-(methoxymethyl)benzenecarboximidamide?
N'-amino-2-(methoxymethyl)benzenecarboximidamide has a molecular weight of 179.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(methoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 77073813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).