N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine

C13H21N3O4 — CID 106451264

IUPACN-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCCOCC(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-4-14-12-6-5-11(16(17)18)13(15-12)20-8-7-19-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyMTDWJYYGUGVZBP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds9

About N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine

N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine (PubChem CID 106451264) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
PubChem CID106451264
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCCOCC(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-4-14-12-6-5-11(16(17)18)13(15-12)20-8-7-19-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15)
InChIKeyMTDWJYYGUGVZBP-UHFFFAOYSA-N
XLogP2.47
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
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

6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-[3-(2-methylpropoxy)propylamino]-3-nitropyridine-2-carbonitrile
CID 103577984
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
CID 80842189
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-[[3-[2-(2-methylpropoxy)ethoxy]-4-nitrophenyl]methyl]ethanamine
CID 106450084
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
N-ethyl-2-[2-(2-methylpropoxy)ethoxymethyl]-6-nitroaniline
CID 107352511
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine (CID 106451264) is N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(OCCOCC(C)C)n1.
What is the InChIKey of N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine?
The InChIKey is MTDWJYYGUGVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-14-12-6-5-11(16(17)18)13(15-12)20-8-7-19-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine?
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine is sourced from PubChem (CID 106451264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).