N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine

C11H17N3O4 — CID 103604260

IUPACN-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
SMILESCOCCOCCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-5-12-11-4-3-10(9-13-11)14(15)16/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyFJQKPIFWVSEXGN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.45
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine

N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine (PubChem CID 103604260) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
PubChem CID103604260
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
SMILESCOCCOCCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-5-12-11-4-3-10(9-13-11)14(15)16/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyFJQKPIFWVSEXGN-UHFFFAOYSA-N
XLogP1.45
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-[2-(2-fluorophenoxy)ethyl]-5-nitropyridin-2-amine
CID 16560906
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine (CID 103604260) is N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine is COCCOCCCNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine?
The InChIKey is FJQKPIFWVSEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-7-8-18-6-2-5-12-11-4-3-10(9-13-11)14(15)16/h3-4,9H,2,5-8H2,1H3,(H,12,13).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine?
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine has a molecular weight of 255.27 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 103604260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).