N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine

C14H21N3O3 — CID 115321546

IUPACN-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2C)n1
InChIInChI=1S/C14H21N3O3/c1-9-4-5-11(10(2)8-9)15-14-12(17(18)19)6-7-13(16-14)20-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyCOLTXLZCAPHYGF-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine

N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 115321546) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID115321546
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2C)n1
InChIInChI=1S/C14H21N3O3/c1-9-4-5-11(10(2)8-9)15-14-12(17(18)19)6-7-13(16-14)20-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyCOLTXLZCAPHYGF-UHFFFAOYSA-N
XLogP3.23
TPSA77.29 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 ≤ 53.23
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

6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
tert-butyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 67130835
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
3-bromo-N-(2,4-dimethylcyclohexyl)-5-nitropyridin-4-amine
CID 103519381
2-[(2,4-dimethylcyclohexyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711391
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine (CID 115321546) is N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2C)n1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is COLTXLZCAPHYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-5-11(10(2)8-9)15-14-12(17(18)19)6-7-13(16-14)20-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 115321546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).