N-(2-ethylhexyl)-6-nitropyridin-3-amine

C13H21N3O2 — CID 103614336

IUPACN-(2-ethylhexyl)-6-nitropyridin-3-amine
SMILESCCCCC(CC)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-11(4-2)9-14-12-7-8-13(15-10-12)16(17)18/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyIISLGWMNVAKDGS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.62
Rot. Bonds8

About N-(2-ethylhexyl)-6-nitropyridin-3-amine

N-(2-ethylhexyl)-6-nitropyridin-3-amine (PubChem CID 103614336) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-nitropyridin-3-amine
PubChem CID103614336
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethylhexyl)-6-nitropyridin-3-amine
SMILESCCCCC(CC)CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H21N3O2/c1-3-5-6-11(4-2)9-14-12-7-8-13(15-10-12)16(17)18/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyIISLGWMNVAKDGS-UHFFFAOYSA-N
XLogP3.62
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
CID 107816616
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
N-(2-ethylhexyl)-2-methyl-6-nitroaniline
CID 107816446
4-(chloromethyl)-N-(2-ethylhexyl)aniline
CID 65026136
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
3,4-diethoxy-N-(2-ethylhexyl)aniline
CID 63489493
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
4,5-dichloro-N-(2-ethylhexyl)-2-nitroaniline
CID 107816572

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-nitropyridin-3-amine?
The IUPAC name of N-(2-ethylhexyl)-6-nitropyridin-3-amine (CID 103614336) is N-(2-ethylhexyl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(2-ethylhexyl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(2-ethylhexyl)-6-nitropyridin-3-amine is CCCCC(CC)CNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-(2-ethylhexyl)-6-nitropyridin-3-amine?
The InChIKey is IISLGWMNVAKDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-6-11(4-2)9-14-12-7-8-13(15-10-12)16(17)18/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-6-nitropyridin-3-amine?
N-(2-ethylhexyl)-6-nitropyridin-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 103614336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).