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

C13H19N3O3 — CID 80878288

IUPAC6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-2-14-12-8-7-11(16(17)18)13(15-12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,15)
InChIKeyCJSRIPSCQXNYLB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.99
Rot. Bonds6

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

6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80878288) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80878288
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(OCC2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-2-14-12-8-7-11(16(17)18)13(15-12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,15)
InChIKeyCJSRIPSCQXNYLB-UHFFFAOYSA-N
XLogP2.99
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
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-(cyclopentylmethoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80923785
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
[5-nitro-6-(oxan-4-ylmethoxy)-2-pyridinyl]hydrazine
CID 80925762
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine (CID 80878288) is 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(OCC2CCCC2)n1.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is CJSRIPSCQXNYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-14-12-8-7-11(16(17)18)13(15-12)19-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,14,15).
What are the key properties of 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine?
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80878288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).