6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine

C13H21N3O4 — CID 80861686

IUPAC6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCCCOCCOc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O4/c1-3-5-8-19-9-10-20-13-11(16(17)18)6-7-12(15-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyYPTDWNCFJABBNG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.62
Rot. Bonds10

About 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine

6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80861686) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80861686
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCCCOCCOc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O4/c1-3-5-8-19-9-10-20-13-11(16(17)18)6-7-12(15-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyYPTDWNCFJABBNG-UHFFFAOYSA-N
XLogP2.62
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
CID 80842189
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine (CID 80861686) is 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine is CCCCOCCOc1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is YPTDWNCFJABBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-5-8-19-9-10-20-13-11(16(17)18)6-7-12(15-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,14,15).
What are the key properties of 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine?
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).