2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine

C15H24N4O2 — CID 80774924

IUPAC2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCCC2CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-16-14-9-8-13(19(20)21)15(18-14)17-11-10-12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3,(H2,16,17,18)
InChIKeyODKBGZTXIHZCLB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.80
Rot. Bonds7

About 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine

2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine (PubChem CID 80774924) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
PubChem CID80774924
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCCC2CCCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-2-16-14-9-8-13(19(20)21)15(18-14)17-11-10-12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3,(H2,16,17,18)
InChIKeyODKBGZTXIHZCLB-UHFFFAOYSA-N
XLogP3.80
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.80
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

2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine (CID 80774924) is 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NCCC2CCCCC2)n1.
What is the InChIKey of 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The InChIKey is ODKBGZTXIHZCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-16-14-9-8-13(19(20)21)15(18-14)17-11-10-12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine has a molecular weight of 292.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80774924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).