N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine

C11H17N3O3 — CID 80719198

IUPACN-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
SMILESCCOCCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-17-8-4-7-12-11-6-5-10(14(15)16)9(2)13-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyZHUQMIJYZUBBGR-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds7

About N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine

N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 80719198) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID80719198
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
SMILESCCOCCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-17-8-4-7-12-11-6-5-10(14(15)16)9(2)13-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyZHUQMIJYZUBBGR-UHFFFAOYSA-N
XLogP2.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
6-[3-(2-methylpropoxy)propylamino]-3-nitropyridine-2-carbonitrile
CID 103577984
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine (CID 80719198) is N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine is CCOCCCNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is ZHUQMIJYZUBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-8-4-7-12-11-6-5-10(14(15)16)9(2)13-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine?
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80719198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).