6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine

C14H20N4O2 — CID 80775290

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C14H20N4O2/c15-13-8-7-12(18(19)20)14(16-13)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,15,16)
InChIKeyXBHOAGCYVXEATC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.73
Rot. Bonds2

About 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine (PubChem CID 80775290) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
PubChem CID80775290
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C14H20N4O2/c15-13-8-7-12(18(19)20)14(16-13)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,15,16)
InChIKeyXBHOAGCYVXEATC-UHFFFAOYSA-N
XLogP2.73
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.73
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'}

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine with MolForge

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Related Compounds

[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
CID 80836642
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80845453
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
1-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136189
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-nitrobenzoic acid
CID 65320737
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine (CID 80775290) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(N2CCCC3CCCCC32)n1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine?
The InChIKey is XBHOAGCYVXEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13-8-7-12(18(19)20)14(16-13)17-9-3-5-10-4-1-2-6-11(10)17/h7-8,10-11H,1-6,9H2,(H2,15,16).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80775290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).