6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine

C14H20N4O3 — CID 80790489

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCOC3CCCC32)n1
InChIInChI=1S/C14H20N4O3/c1-2-15-13-7-6-11(18(19)20)14(16-13)17-8-9-21-12-5-3-4-10(12)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKMYVSRKJBYJZMT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.18
Rot. Bonds4

About 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80790489) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80790489
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCOC3CCCC32)n1
InChIInChI=1S/C14H20N4O3/c1-2-15-13-7-6-11(18(19)20)14(16-13)17-8-9-21-12-5-3-4-10(12)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKMYVSRKJBYJZMT-UHFFFAOYSA-N
XLogP2.18
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
CID 79244022
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377

Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine (CID 80790489) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(N2CCOC3CCCC32)n1.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is KMYVSRKJBYJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-15-13-7-6-11(18(19)20)14(16-13)17-8-9-21-12-5-3-4-10(12)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).