4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

C12H17N3O3 — CID 83272061

IUPAC4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1cnc(OC2CCC(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-8-7-14-12(6-11(8)15(16)17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3
InChIKeyUNFMAPZBKQLQTE-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.95
Rot. Bonds3

About 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 83272061) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID83272061
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1cnc(OC2CCC(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-8-7-14-12(6-11(8)15(16)17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3
InChIKeyUNFMAPZBKQLQTE-UHFFFAOYSA-N
XLogP1.95
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.95
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

N-methyl-1-[3-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclobutyl]methanamine
CID 83271843
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
1-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 67087733
4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine
CID 103080533
6-cyclopropyloxy-4-methylpyridin-3-amine
CID 126971824
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine
CID 103185388
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
4-(4-methylsulfonyl-2-nitrophenoxy)cyclohexan-1-amine
CID 62808316
5-bromo-2-cyclopropyloxy-4-methylpyridine
CID 118130740
2-(1-methylpyrrolidin-3-yl)oxy-5-nitropyridine-4-carboxylic acid
CID 112741285
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 83272061) is 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is Cc1cnc(OC2CCC(N)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is UNFMAPZBKQLQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-14-12(6-11(8)15(16)17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3.
What are the key properties of 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-4-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 83272061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).