6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine

C14H21N3O3 — CID 106207668

IUPAC6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
SMILESCCCNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-7-15-13-9-12(17(18)19)10-14(16-13)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyBMIOJUVACSXDOZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds8

About 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine

6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine (PubChem CID 106207668) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
PubChem CID106207668
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
SMILESCCCNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1
InChIInChI=1S/C14H21N3O3/c1-2-7-15-13-9-12(17(18)19)10-14(16-13)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyBMIOJUVACSXDOZ-UHFFFAOYSA-N
XLogP3.38
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
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)-N-methyl-4-nitropyridin-2-amine
CID 114158243
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
6-(2-cyclobutylethoxy)-N-propylpyrazin-2-amine
CID 114158245
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
CID 106207746
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099
3-N-(cyclopentylmethyl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80784055
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
CID 106198537

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine (CID 106207668) is 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine is CCCNc1cc([N+](=O)[O-])cc(OCCC2CCC2)n1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine?
The InChIKey is BMIOJUVACSXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-7-15-13-9-12(17(18)19)10-14(16-13)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine?
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 106207668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).