6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine

C10H16N4O2 — CID 80765185

IUPAC6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-4-11-9-6-5-8(14(15)16)10(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,13)
InChIKeySFGJOWSEYBNZAV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.24
Rot. Bonds5

About 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine

6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine (PubChem CID 80765185) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
PubChem CID80765185
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-4-11-9-6-5-8(14(15)16)10(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,13)
InChIKeySFGJOWSEYBNZAV-UHFFFAOYSA-N
XLogP2.24
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.24
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-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
CID 80838459
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523
6-N-ethyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80784346
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
6-N-ethyl-2-N-[1-(furan-2-yl)propan-2-yl]-3-nitropyridine-2,6-diamine
CID 80781940
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-N-(4-methoxybutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80844313

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine (CID 80765185) is 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NC(C)C)n1.
What is the InChIKey of 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine?
The InChIKey is SFGJOWSEYBNZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-11-9-6-5-8(14(15)16)10(13-9)12-7(2)3/h5-7H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine?
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine has a molecular weight of 224.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 80765185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).