4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine

C14H21N3O3 — CID 103185388

IUPAC4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine
SMILESCc1cnc(COC2CCC(N)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-9-7-16-13(10(2)14(9)17(18)19)8-20-12-5-3-11(15)4-6-12/h7,11-12H,3-6,8,15H2,1-2H3
InChIKeyUFKOYIDWUNRGCL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.39
Rot. Bonds4

About 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine

4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine (PubChem CID 103185388) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine
PubChem CID103185388
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine
SMILESCc1cnc(COC2CCC(N)CC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-9-7-16-13(10(2)14(9)17(18)19)8-20-12-5-3-11(15)4-6-12/h7,11-12H,3-6,8,15H2,1-2H3
InChIKeyUFKOYIDWUNRGCL-UHFFFAOYSA-N
XLogP2.39
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.39
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'}

Analyze 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine (CID 103185388) is 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine is Cc1cnc(COC2CCC(N)CC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine?
The InChIKey is UFKOYIDWUNRGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-16-13(10(2)14(9)17(18)19)8-20-12-5-3-11(15)4-6-12/h7,11-12H,3-6,8,15H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine?
4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine has a molecular weight of 279.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 103185388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).