2,6-dimethylbenzenecarboximidamide

C9H12N2 — CID 5047790

IUPAC2,6-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1C
InChIInChI=1S/C9H12N2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H3,10,11)
InChIKeyRRIKJEBDBLNLOW-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.59
Rot. Bonds1

About 2,6-dimethylbenzenecarboximidamide

2,6-dimethylbenzenecarboximidamide (PubChem CID 5047790) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,6-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2,6-dimethylbenzenecarboximidamide
PubChem CID5047790
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,6-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1C
InChIInChI=1S/C9H12N2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H3,10,11)
InChIKeyRRIKJEBDBLNLOW-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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Related Compounds

2-methyl-6-(sulfamoylamino)benzenecarboximidamide
CID 107806238
4-bromo-2,6-dimethylbenzenecarboximidamide
CID 146550269
2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
CID 107806235
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
2-hydroxy-6-methoxybenzenecarboximidamide;hydrochloride
CID 171703209
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
2-methyl-6-(4,4,4-trifluorobutylsulfonylamino)benzenecarboximidamide
CID 107806229
2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
CID 107806205
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylbenzenecarboximidamide?
The IUPAC name of 2,6-dimethylbenzenecarboximidamide (CID 5047790) is 2,6-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2,6-dimethylbenzenecarboximidamide?
The canonical SMILES for 2,6-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1C.
What is the InChIKey of 2,6-dimethylbenzenecarboximidamide?
The InChIKey is RRIKJEBDBLNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H3,10,11).
What are the key properties of 2,6-dimethylbenzenecarboximidamide?
2,6-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 2,6-dimethylbenzenecarboximidamide is sourced from PubChem (CID 5047790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).