2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine

C15H24N4O2 — CID 80771600

IUPAC2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-16-14-11-10-13(19(20)21)15(18-14)17-12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H2,16,17,18)
InChIKeyOXMMYDYCUQTVMN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.95
Rot. Bonds5

About 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine

2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine (PubChem CID 80771600) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
PubChem CID80771600
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-16-14-11-10-13(19(20)21)15(18-14)17-12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H2,16,17,18)
InChIKeyOXMMYDYCUQTVMN-UHFFFAOYSA-N
XLogP3.95
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-N-ethyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 103065315
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632983
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80830213
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine (CID 80771600) is 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NC2CCCCCCC2)n1.
What is the InChIKey of 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The InChIKey is OXMMYDYCUQTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-16-14-11-10-13(19(20)21)15(18-14)17-12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine has a molecular weight of 292.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80771600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).