3,4-dimethylbenzenecarboximidamide

C9H12N2 — CID 5221300

IUPAC3,4-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)
InChIKeyQQSRGYGYLVLMFU-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.59
Rot. Bonds1

About 3,4-dimethylbenzenecarboximidamide

3,4-dimethylbenzenecarboximidamide (PubChem CID 5221300) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name3,4-dimethylbenzenecarboximidamide
PubChem CID5221300
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,4-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)
InChIKeyQQSRGYGYLVLMFU-UHFFFAOYSA-N
XLogP1.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzenecarboximidamide?
The IUPAC name of 3,4-dimethylbenzenecarboximidamide (CID 5221300) is 3,4-dimethylbenzenecarboximidamide.
What is the SMILES notation for 3,4-dimethylbenzenecarboximidamide?
The canonical SMILES for 3,4-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethylbenzenecarboximidamide?
The InChIKey is QQSRGYGYLVLMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11).
What are the key properties of 3,4-dimethylbenzenecarboximidamide?
3,4-dimethylbenzenecarboximidamide has a molecular weight of 148.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 5221300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).