N'-(methylamino)benzenecarboximidamide

C8H11N3 — CID 6041669

IUPACN'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccccc1
InChIInChI=1S/C8H11N3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,11)
InChIKeyJSCGQDBHQIGLDY-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.53
Rot. Bonds2

About N'-(methylamino)benzenecarboximidamide

N'-(methylamino)benzenecarboximidamide (PubChem CID 6041669) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(methylamino)benzenecarboximidamide
PubChem CID6041669
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccccc1
InChIInChI=1S/C8H11N3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,11)
InChIKeyJSCGQDBHQIGLDY-UHFFFAOYSA-N
XLogP0.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)benzenecarboximidamide?
The IUPAC name of N'-(methylamino)benzenecarboximidamide (CID 6041669) is N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for N'-(methylamino)benzenecarboximidamide is CN/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(methylamino)benzenecarboximidamide?
The InChIKey is JSCGQDBHQIGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-10-11-8(9)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,11).
What are the key properties of N'-(methylamino)benzenecarboximidamide?
N'-(methylamino)benzenecarboximidamide has a molecular weight of 149.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 6041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).