4-methoxy-N'-(methylamino)benzenecarboximidamide

C9H13N3O — CID 88906808

IUPAC4-methoxy-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C9H13N3O/c1-11-12-9(10)7-3-5-8(13-2)6-4-7/h3-6,11H,1-2H3,(H2,10,12)
InChIKeyAUHCGKAYTIXQGZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.53
Rot. Bonds3

About 4-methoxy-N'-(methylamino)benzenecarboximidamide

4-methoxy-N'-(methylamino)benzenecarboximidamide (PubChem CID 88906808) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-methoxy-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-(methylamino)benzenecarboximidamide
PubChem CID88906808
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-methoxy-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C9H13N3O/c1-11-12-9(10)7-3-5-8(13-2)6-4-7/h3-6,11H,1-2H3,(H2,10,12)
InChIKeyAUHCGKAYTIXQGZ-UHFFFAOYSA-N
XLogP0.53
TPSA59.64 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-(methylamino)naphthalene-2-carboximidamide
CID 143768408
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
tert-butyl N-[[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 57363286
tert-butyl N-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 56604348
(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
CID 24828690
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-methoxy-N'-(methylamino)benzenecarboximidamide (CID 88906808) is 4-methoxy-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-N'-(methylamino)benzenecarboximidamide is CN/N=C(\N)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N'-(methylamino)benzenecarboximidamide?
The InChIKey is AUHCGKAYTIXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-12-9(10)7-3-5-8(13-2)6-4-7/h3-6,11H,1-2H3,(H2,10,12).
What are the key properties of 4-methoxy-N'-(methylamino)benzenecarboximidamide?
4-methoxy-N'-(methylamino)benzenecarboximidamide has a molecular weight of 179.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 88906808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).