6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine

C14H24N4O2 — CID 80838459

IUPAC6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C)CCC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-5-15-13-9-8-12(18(19)20)14(17-13)16-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyPKFZRRKKMXAIRZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds8

About 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine

6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine (PubChem CID 80838459) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
PubChem CID80838459
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C)CCC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-5-15-13-9-8-12(18(19)20)14(17-13)16-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyPKFZRRKKMXAIRZ-UHFFFAOYSA-N
XLogP3.66
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.66
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-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
2-N-(4-methoxybutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80844313
6-N-ethyl-2-N-[1-(furan-2-yl)propan-2-yl]-3-nitropyridine-2,6-diamine
CID 80781940
6-(5-methylhexan-2-ylamino)-5-nitropyridine-2-carboxylic acid
CID 114404154
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
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034
2-N-(1-methoxypropan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80786716
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine (CID 80838459) is 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NC(C)CCC(C)C)n1.
What is the InChIKey of 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine?
The InChIKey is PKFZRRKKMXAIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-15-13-9-8-12(18(19)20)14(17-13)16-11(4)7-6-10(2)3/h8-11H,5-7H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine?
6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80838459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).