N'-(2,4-dinitrophenyl)methanediamine

C7H8N4O4 — CID 23597616

IUPACN'-(2,4-dinitrophenyl)methanediamine
SMILESNCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-3,9H,4,8H2
InChIKeyGERZRVZMJCASMR-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.83
Rot. Bonds4

About N'-(2,4-dinitrophenyl)methanediamine

N'-(2,4-dinitrophenyl)methanediamine (PubChem CID 23597616) has the molecular formula C7H8N4O4 and a molecular weight of 212.17 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)methanediamine.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)methanediamine
PubChem CID23597616
Molecular FormulaC7H8N4O4
Molecular Weight212.17 g/mol
Exact Mass212.05
IUPAC NameN'-(2,4-dinitrophenyl)methanediamine
SMILESNCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-3,9H,4,8H2
InChIKeyGERZRVZMJCASMR-UHFFFAOYSA-N
XLogP0.83
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
N'-(2,4-dinitrophenyl)octane-1,8-diamine
CID 121482468
2-(2,4-dinitroanilino)ethylazanium
CID 7122512
2-(2,4-dinitroanilino)acetate
CID 4738135
2,4-dinitro-N-(2,2,2-trifluoroethyl)aniline
CID 54929661
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
2-N-(2,4-dinitrophenyl)propane-1,2-diamine
CID 63733385
2,4-dinitro-N-pent-4-ynylaniline
CID 103704472
N-(2-methylsulfanylethyl)-2,4-dinitroaniline
CID 60632017
3-(2,4-dinitroanilino)propane-1-sulfonamide
CID 61063868
2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)methanediamine?
The IUPAC name of N'-(2,4-dinitrophenyl)methanediamine (CID 23597616) is N'-(2,4-dinitrophenyl)methanediamine.
What is the SMILES notation for N'-(2,4-dinitrophenyl)methanediamine?
The canonical SMILES for N'-(2,4-dinitrophenyl)methanediamine is NCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N'-(2,4-dinitrophenyl)methanediamine?
The InChIKey is GERZRVZMJCASMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c8-4-9-6-2-1-5(10(12)13)3-7(6)11(14)15/h1-3,9H,4,8H2.
What are the key properties of N'-(2,4-dinitrophenyl)methanediamine?
N'-(2,4-dinitrophenyl)methanediamine has a molecular weight of 212.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)methanediamine is sourced from PubChem (CID 23597616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).