N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine

C13H19N3O2 — CID 113224726

IUPACN-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
SMILESCCC1CCCCC1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-2-10-6-3-4-7-11(10)15-12-8-5-9-14-13(12)16(17)18/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyYRLLZEGHSFJIMY-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.37
Rot. Bonds4

About N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine

N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine (PubChem CID 113224726) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
PubChem CID113224726
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
SMILESCCC1CCCCC1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O2/c1-2-10-6-3-4-7-11(10)15-12-8-5-9-14-13(12)16(17)18/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyYRLLZEGHSFJIMY-UHFFFAOYSA-N
XLogP3.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955889
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
4-[(2-nitro-3-pyridinyl)amino]cyclohexane-1-carboxamide
CID 112690479
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine (CID 113224726) is N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine is CCC1CCCCC1Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine?
The InChIKey is YRLLZEGHSFJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10-6-3-4-7-11(10)15-12-8-5-9-14-13(12)16(17)18/h5,8-11,15H,2-4,6-7H2,1H3.
What are the key properties of N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine?
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 113224726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).