N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

C13H19N3O3 — CID 102634395

IUPACN-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-8-15-13(12(9)16(17)18)19-11-6-4-3-5-10(11)14-2/h7-8,10-11,14H,3-6H2,1-2H3
InChIKeyYEHGGXIYQSWDCP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 102634395) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID102634395
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-8-15-13(12(9)16(17)18)19-11-6-4-3-5-10(11)14-2/h7-8,10-11,14H,3-6H2,1-2H3
InChIKeyYEHGGXIYQSWDCP-UHFFFAOYSA-N
XLogP2.21
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
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-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 102634395) is N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is CNC1CCCCC1Oc1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is YEHGGXIYQSWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-8-15-13(12(9)16(17)18)19-11-6-4-3-5-10(11)14-2/h7-8,10-11,14H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 102634395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).