2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine

C14H22N4O2 — CID 80761700

IUPAC2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-3-15-13-10-9-12(18(19)20)14(16-13)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXEXMVPSTHMLJRO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.19
Rot. Bonds5

About 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine

2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 80761700) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID80761700
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-3-15-13-10-9-12(18(19)20)14(16-13)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXEXMVPSTHMLJRO-UHFFFAOYSA-N
XLogP3.19
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.19
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-N-ethyl-2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80788382
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-N-ethyl-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-3-nitropyridine-2,6-diamine
CID 112667980
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine (CID 80761700) is 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(N(C)C2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is XEXMVPSTHMLJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-15-13-10-9-12(18(19)20)14(16-13)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine?
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).