3-nitro-6-N-octylpyridine-2,6-diamine

C13H22N4O2 — CID 110180521

IUPAC3-nitro-6-N-octylpyridine-2,6-diamine
SMILESCCCCCCCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H22N4O2/c1-2-3-4-5-6-7-10-15-12-9-8-11(17(18)19)13(14)16-12/h8-9H,2-7,10H2,1H3,(H3,14,15,16)
InChIKeyBCVZEACGQUBYBX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.34
Rot. Bonds9

About 3-nitro-6-N-octylpyridine-2,6-diamine

3-nitro-6-N-octylpyridine-2,6-diamine (PubChem CID 110180521) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-nitro-6-N-octylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-6-N-octylpyridine-2,6-diamine
PubChem CID110180521
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-nitro-6-N-octylpyridine-2,6-diamine
SMILESCCCCCCCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H22N4O2/c1-2-3-4-5-6-7-10-15-12-9-8-11(17(18)19)13(14)16-12/h8-9H,2-7,10H2,1H3,(H3,14,15,16)
InChIKeyBCVZEACGQUBYBX-UHFFFAOYSA-N
XLogP3.34
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.34
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

6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
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-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-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-N-octylpyridine-2,6-diamine?
The IUPAC name of 3-nitro-6-N-octylpyridine-2,6-diamine (CID 110180521) is 3-nitro-6-N-octylpyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-6-N-octylpyridine-2,6-diamine?
The canonical SMILES for 3-nitro-6-N-octylpyridine-2,6-diamine is CCCCCCCCNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 3-nitro-6-N-octylpyridine-2,6-diamine?
The InChIKey is BCVZEACGQUBYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-3-4-5-6-7-10-15-12-9-8-11(17(18)19)13(14)16-12/h8-9H,2-7,10H2,1H3,(H3,14,15,16).
What are the key properties of 3-nitro-6-N-octylpyridine-2,6-diamine?
3-nitro-6-N-octylpyridine-2,6-diamine has a molecular weight of 266.34 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-N-octylpyridine-2,6-diamine is sourced from PubChem (CID 110180521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).