N-(2,6-dimethylphenyl)nitramide

C8H10N2O2 — CID 13106750

IUPACN-(2,6-dimethylphenyl)nitramide
SMILESCc1cccc(C)c1N[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-7(2)8(6)9-10(11)12/h3-5,9H,1-2H3
InChIKeyZOXNBNMGIZLWNA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.91
Rot. Bonds2

About N-(2,6-dimethylphenyl)nitramide

N-(2,6-dimethylphenyl)nitramide (PubChem CID 13106750) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)nitramide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)nitramide
PubChem CID13106750
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(2,6-dimethylphenyl)nitramide
SMILESCc1cccc(C)c1N[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-4-3-5-7(2)8(6)9-10(11)12/h3-5,9H,1-2H3
InChIKeyZOXNBNMGIZLWNA-UHFFFAOYSA-N
XLogP1.91
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-pyridinyl)nitramide
CID 572095
N-bromo-2-methyl-6-nitroaniline
CID 140553007
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
CID 113459316
N-(2-methyl-6-nitrophenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 78918366
2-methyl-N-(2-methylbut-3-yn-2-yl)-6-nitroaniline
CID 115551470
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(3,4-dimethyl-2-pyridinyl)nitramide
CID 174290384
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)nitramide?
The IUPAC name of N-(2,6-dimethylphenyl)nitramide (CID 13106750) is N-(2,6-dimethylphenyl)nitramide.
What is the SMILES notation for N-(2,6-dimethylphenyl)nitramide?
The canonical SMILES for N-(2,6-dimethylphenyl)nitramide is Cc1cccc(C)c1N[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)nitramide?
The InChIKey is ZOXNBNMGIZLWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-3-5-7(2)8(6)9-10(11)12/h3-5,9H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)nitramide?
N-(2,6-dimethylphenyl)nitramide has a molecular weight of 166.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)nitramide is sourced from PubChem (CID 13106750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).