6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine

C12H17N3O3 — CID 114158243

IUPAC6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
SMILESCNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1
InChIInChI=1S/C12H17N3O3/c1-13-11-7-10(15(16)17)8-12(14-11)18-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyZKNUTBJIBGWYCR-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds6

About 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine

6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine (PubChem CID 114158243) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
PubChem CID114158243
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
SMILESCNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1
InChIInChI=1S/C12H17N3O3/c1-13-11-7-10(15(16)17)8-12(14-11)18-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyZKNUTBJIBGWYCR-UHFFFAOYSA-N
XLogP2.60
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
CID 114158193
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
CID 114071063
[6-[2-(2-methylpropoxy)ethoxy]-4-nitro-2-pyridinyl]hydrazine
CID 114071599
4-(2-cyclobutylethoxy)-6-methylpyrimidin-2-amine
CID 106207412
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 114071046

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine (CID 114158243) is 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine is CNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine?
The InChIKey is ZKNUTBJIBGWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-13-11-7-10(15(16)17)8-12(14-11)18-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine?
6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 114158243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).