6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine

C11H16N4O2 — CID 113486256

IUPAC6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC2(C)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-12-9-5-4-8(15(16)17)10(13-9)14-11(2)6-7-11/h4-5H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyLTTVNRKPKSXHEQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.39
Rot. Bonds5

About 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine

6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine (PubChem CID 113486256) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
PubChem CID113486256
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NC2(C)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-12-9-5-4-8(15(16)17)10(13-9)14-11(2)6-7-11/h4-5H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyLTTVNRKPKSXHEQ-UHFFFAOYSA-N
XLogP2.39
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.39
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
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632983
4-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]oxan-4-ol
CID 81134514
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 80750781
6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
CID 80838459

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine (CID 113486256) is 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NC2(C)CC2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine?
The InChIKey is LTTVNRKPKSXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-12-9-5-4-8(15(16)17)10(13-9)14-11(2)6-7-11/h4-5H,3,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine?
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine has a molecular weight of 236.27 g/mol, XLogP of 2.39, 5 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-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 113486256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).