N-(1-cyclohexylethyl)-3-nitropyridin-2-amine

C13H19N3O2 — CID 62406132

IUPACN-(1-cyclohexylethyl)-3-nitropyridin-2-amine
SMILESCC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-10(11-6-3-2-4-7-11)15-13-12(16(17)18)8-5-9-14-13/h5,8-11H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyXDEDBPUQIBJPLI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.37
Rot. Bonds4

About N-(1-cyclohexylethyl)-3-nitropyridin-2-amine

N-(1-cyclohexylethyl)-3-nitropyridin-2-amine (PubChem CID 62406132) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-nitropyridin-2-amine
PubChem CID62406132
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(1-cyclohexylethyl)-3-nitropyridin-2-amine
SMILESCC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-10(11-6-3-2-4-7-11)15-13-12(16(17)18)8-5-9-14-13/h5,8-11H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyXDEDBPUQIBJPLI-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

1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
6-chloro-N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 63549430
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-nitropyridin-2-amine
CID 98871144
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
N-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-nitropyridin-2-amine (CID 62406132) is N-(1-cyclohexylethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-nitropyridin-2-amine is CC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-nitropyridin-2-amine?
The InChIKey is XDEDBPUQIBJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(11-6-3-2-4-7-11)15-13-12(16(17)18)8-5-9-14-13/h5,8-11H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclohexylethyl)-3-nitropyridin-2-amine?
N-(1-cyclohexylethyl)-3-nitropyridin-2-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-(1-cyclohexylethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 62406132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).