6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine

C13H22N4O2 — CID 107816541

IUPAC6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
SMILESCCCCC(CC)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-6-10(4-2)9-15-12-8-7-11(17(18)19)13(14)16-12/h7-8,10H,3-6,9H2,1-2H3,(H3,14,15,16)
InChIKeyDJDFQWBCAYWQOM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.20
Rot. Bonds8

About 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine

6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine (PubChem CID 107816541) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
PubChem CID107816541
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
SMILESCCCCC(CC)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H22N4O2/c1-3-5-6-10(4-2)9-15-12-8-7-11(17(18)19)13(14)16-12/h7-8,10H,3-6,9H2,1-2H3,(H3,14,15,16)
InChIKeyDJDFQWBCAYWQOM-UHFFFAOYSA-N
XLogP3.20
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
CID 107816616
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
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
N-(2-ethylhexyl)-2-methyl-6-nitroaniline
CID 107816446
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine (CID 107816541) is 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine is CCCCC(CC)CNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine?
The InChIKey is DJDFQWBCAYWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-6-10(4-2)9-15-12-8-7-11(17(18)19)13(14)16-12/h7-8,10H,3-6,9H2,1-2H3,(H3,14,15,16).
What are the key properties of 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine?
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine has a molecular weight of 266.34 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 107816541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).