1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine

C10H14N4O4 — CID 78954587

IUPAC1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-10(2,11)6-12-8-4-3-7(13(15)16)5-9(8)14(17)18/h3-5,12H,6,11H2,1-2H3
InChIKeyFEKWZPNPSJVYGB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.65
Rot. Bonds5

About 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine

1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine (PubChem CID 78954587) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
PubChem CID78954587
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-10(2,11)6-12-8-4-3-7(13(15)16)5-9(8)14(17)18/h3-5,12H,6,11H2,1-2H3
InChIKeyFEKWZPNPSJVYGB-UHFFFAOYSA-N
XLogP1.65
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dinitro-N-(2,2,2-trifluoroethyl)aniline
CID 54929661
3-(2,4-dinitroanilino)-2,2-dimethylpropanoic acid
CID 115427614
3-(2,4-dinitroanilino)-2-methylpropane-1,2-diol
CID 66169292
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
1-N-(4-methoxy-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 78954867
3-(2,4-dinitroanilino)-2,2-difluoropropan-1-ol
CID 104858610
4-[(2-amino-2-methylpropyl)amino]-N-methyl-3-nitrobenzenesulfonamide
CID 78954490
2-(2,4-dinitroanilino)ethylazanium
CID 7122512
2-(2,4-dinitroanilino)acetate
CID 4738135
N-(2-methylsulfanylethyl)-2,4-dinitroaniline
CID 60632017
1-N-(2,2-dimethylpropyl)-2-nitrobenzene-1,4-diamine
CID 145250251
3-[(2-amino-2-methylpropyl)amino]-4-nitrobenzonitrile
CID 104713971

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine (CID 78954587) is 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is FEKWZPNPSJVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-10(2,11)6-12-8-4-3-7(13(15)16)5-9(8)14(17)18/h3-5,12H,6,11H2,1-2H3.
What are the key properties of 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine?
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 254.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 78954587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).