2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol

C13H19N3O3 — CID 62543247

IUPAC2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1ccc(N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C13H19N3O3/c17-9-8-15(11-4-2-1-3-5-11)12-6-7-13(14-10-12)16(18)19/h6-7,10-11,17H,1-5,8-9H2
InChIKeyLKGCVPLLUGAGTI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.12
Rot. Bonds5

About 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol

2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol (PubChem CID 62543247) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
PubChem CID62543247
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1ccc(N(CCO)C2CCCCC2)cn1
InChIInChI=1S/C13H19N3O3/c17-9-8-15(11-4-2-1-3-5-11)12-6-7-13(14-10-12)16(18)19/h6-7,10-11,17H,1-5,8-9H2
InChIKeyLKGCVPLLUGAGTI-UHFFFAOYSA-N
XLogP2.12
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.12
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

1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
CID 83119849
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
5-[cyclobutyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 102863201
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
2-[(1,1-dioxothiolan-3-yl)-(6-nitro-3-pyridinyl)amino]acetic acid
CID 60829518

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol (CID 62543247) is 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol is O=[N+]([O-])c1ccc(N(CCO)C2CCCCC2)cn1.
What is the InChIKey of 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol?
The InChIKey is LKGCVPLLUGAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-9-8-15(11-4-2-1-3-5-11)12-6-7-13(14-10-12)16(18)19/h6-7,10-11,17H,1-5,8-9H2.
What are the key properties of 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol?
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol has a molecular weight of 265.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol is sourced from PubChem (CID 62543247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).