N'-(3-methylphenyl)methanimidamide

C8H10N2 — CID 55300494

IUPACN'-(3-methylphenyl)methanimidamide
SMILESCc1cccc(/N=C/N)c1
InChIInChI=1S/C8H10N2/c1-7-3-2-4-8(5-7)10-6-9/h2-6H,1H3,(H2,9,10)
InChIKeyKXSVYQIAOKRJSX-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.61
Rot. Bonds1

About N'-(3-methylphenyl)methanimidamide

N'-(3-methylphenyl)methanimidamide (PubChem CID 55300494) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N'-(3-methylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)methanimidamide
PubChem CID55300494
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN'-(3-methylphenyl)methanimidamide
SMILESCc1cccc(/N=C/N)c1
InChIInChI=1S/C8H10N2/c1-7-3-2-4-8(5-7)10-6-9/h2-6H,1H3,(H2,9,10)
InChIKeyKXSVYQIAOKRJSX-UHFFFAOYSA-N
XLogP1.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-methylphenyl)phenyl]methanimidamide
CID 123858639
N-hydroxy-N'-(3-methylphenyl)methanimidamide
CID 20763605
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
ethane;N'-methoxymethanimidamide;1,3-xylene
CID 142083207
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
3-methylaniline
CID 7934
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
3-methylaniline chloride
CID 23334103
1-isocyanato-3-methylbenzene;hydrate
CID 174282646
ethane;1,3-xylene
CID 54570178
phosphane;tris(1,3-xylene)
CID 67351774

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)methanimidamide?
The IUPAC name of N'-(3-methylphenyl)methanimidamide (CID 55300494) is N'-(3-methylphenyl)methanimidamide.
What is the SMILES notation for N'-(3-methylphenyl)methanimidamide?
The canonical SMILES for N'-(3-methylphenyl)methanimidamide is Cc1cccc(/N=C/N)c1.
What is the InChIKey of N'-(3-methylphenyl)methanimidamide?
The InChIKey is KXSVYQIAOKRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-3-2-4-8(5-7)10-6-9/h2-6H,1H3,(H2,9,10).
What are the key properties of N'-(3-methylphenyl)methanimidamide?
N'-(3-methylphenyl)methanimidamide has a molecular weight of 134.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)methanimidamide is sourced from PubChem (CID 55300494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).