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

C14H23N3O2 — CID 107816616

IUPACN-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
SMILESCCCCC(CC)CNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-4-6-7-12(5-2)10-15-14-13(17(18)19)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyVLTPEOXEMZZPPR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.93
Rot. Bonds8

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

N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 107816616) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID107816616
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
SMILESCCCCC(CC)CNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O2/c1-4-6-7-12(5-2)10-15-14-13(17(18)19)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,15,16)
InChIKeyVLTPEOXEMZZPPR-UHFFFAOYSA-N
XLogP3.93
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.93
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

3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
N-(2-ethylhexyl)-2-methyl-6-nitroaniline
CID 107816446
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 81138787
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
N-(2-ethylhexyl)-6-nitropyridin-3-amine
CID 103614336
4,5-dichloro-N-(2-ethylhexyl)-2-nitroaniline
CID 107816572
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine (CID 107816616) is N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine is CCCCC(CC)CNc1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is VLTPEOXEMZZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-7-12(5-2)10-15-14-13(17(18)19)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine?
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.93, 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-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 107816616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).