N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide

C11H16N2 — CID 18962

IUPACN'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cccc(/N=C/N(C)C)c1C
InChIInChI=1S/C11H16N2/c1-9-6-5-7-11(10(9)2)12-8-13(3)4/h5-8H,1-4H3/b12-8+
InChIKeyUQMISVOZXBSXBQ-XYOKQWHBSA-N
MW176.26 g/mol
LogP2.52
Rot. Bonds2

About N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide

N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 18962) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide
PubChem CID18962
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cccc(/N=C/N(C)C)c1C
InChIInChI=1S/C11H16N2/c1-9-6-5-7-11(10(9)2)12-8-13(3)4/h5-8H,1-4H3/b12-8+
InChIKeyUQMISVOZXBSXBQ-XYOKQWHBSA-N
XLogP2.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
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

Amitraz
CID 36324
N,N-Dimethyl-N'-(2-methylphenyl)methanimidamide
CID 25123
N'-(2-Cyanophenyl)-N,N-dimethylformamidine
CID 100560
2,3-Dimethylphenylisothiocyanate
CID 137068
N'-(5,6,7,8-Tetrahydro-1-naphthyl)-N,N,N-trimethylformamidinium iodide
CID 59031
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)methanimidamide
CID 37402
2,3-Dimethylphenyl isocyanate
CID 137096
2-(3,4-Dimethylphenyl)guanidine;hydrochloride
CID 52946613
1-(3-Methylphenyl)guanidine
CID 228022
N'-(4-butyl-2-methylphenyl)-N-hydroxy-N-methylmethanimidamide
CID 44332466
Pseudourea, 2-methyl-2-thio-3-(2,3-xylyl)-, hydriodide
CID 24193907
Formamidine, N,N-dimethyl-N'-(2,6-dimethylphenyl)-
CID 32199

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide (CID 18962) is N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide is Cc1cccc(/N=C/N(C)C)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is UQMISVOZXBSXBQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-6-5-7-11(10(9)2)12-8-13(3)4/h5-8H,1-4H3/b12-8+.
What are the key properties of N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide?
N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 18962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).