6-N-butyl-3-nitropyridine-2,6-diamine

C9H14N4O2 — CID 79827989

IUPAC6-N-butyl-3-nitropyridine-2,6-diamine
SMILESCCCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-11-8-5-4-7(13(14)15)9(10)12-8/h4-5H,2-3,6H2,1H3,(H3,10,11,12)
InChIKeyNGOVUTFREFPWHD-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.78
Rot. Bonds5

About 6-N-butyl-3-nitropyridine-2,6-diamine

6-N-butyl-3-nitropyridine-2,6-diamine (PubChem CID 79827989) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-N-butyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butyl-3-nitropyridine-2,6-diamine
PubChem CID79827989
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-N-butyl-3-nitropyridine-2,6-diamine
SMILESCCCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O2/c1-2-3-6-11-8-5-4-7(13(14)15)9(10)12-8/h4-5H,2-3,6H2,1H3,(H3,10,11,12)
InChIKeyNGOVUTFREFPWHD-UHFFFAOYSA-N
XLogP1.78
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106040897

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-butyl-3-nitropyridine-2,6-diamine (CID 79827989) is 6-N-butyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-butyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-butyl-3-nitropyridine-2,6-diamine is CCCCNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-butyl-3-nitropyridine-2,6-diamine?
The InChIKey is NGOVUTFREFPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-6-11-8-5-4-7(13(14)15)9(10)12-8/h4-5H,2-3,6H2,1H3,(H3,10,11,12).
What are the key properties of 6-N-butyl-3-nitropyridine-2,6-diamine?
6-N-butyl-3-nitropyridine-2,6-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79827989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).