N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

C12H17N3O3 — CID 102634307

IUPACN-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H17N3O3/c1-13-10-4-2-3-5-11(10)18-12-7-6-9(8-14-12)15(16)17/h6-8,10-11,13H,2-5H2,1H3
InChIKeyMKJGLHBAAMWLKL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 102634307) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID102634307
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H17N3O3/c1-13-10-4-2-3-5-11(10)18-12-7-6-9(8-14-12)15(16)17/h6-8,10-11,13H,2-5H2,1H3
InChIKeyMKJGLHBAAMWLKL-UHFFFAOYSA-N
XLogP1.90
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 102634307) is N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is CNC1CCCCC1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is MKJGLHBAAMWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-13-10-4-2-3-5-11(10)18-12-7-6-9(8-14-12)15(16)17/h6-8,10-11,13H,2-5H2,1H3.
What are the key properties of N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 102634307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).