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

C13H20N4O2 — CID 80767596

IUPAC2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCN(c1nc(N)ccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-2-16(10-6-4-3-5-7-10)13-11(17(18)19)8-9-12(14)15-13/h8-10H,2-7H2,1H3,(H2,14,15)
InChIKeyNMOCQSXTYGQMDN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.73
Rot. Bonds4

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

2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine (PubChem CID 80767596) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
PubChem CID80767596
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCN(c1nc(N)ccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-2-16(10-6-4-3-5-7-10)13-11(17(18)19)8-9-12(14)15-13/h8-10H,2-7H2,1H3,(H2,14,15)
InChIKeyNMOCQSXTYGQMDN-UHFFFAOYSA-N
XLogP2.73
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.73
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

2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
CID 80806821
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849
6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403758
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
CID 115323291
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
N-cyclohexyl-N-ethyl-2,4-dinitroaniline
CID 9282678
5-[cyclohexyl(ethyl)amino]-2-nitrobenzonitrile
CID 115500862
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine (CID 80767596) is 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine is CCN(c1nc(N)ccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine?
The InChIKey is NMOCQSXTYGQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-16(10-6-4-3-5-7-10)13-11(17(18)19)8-9-12(14)15-13/h8-10H,2-7H2,1H3,(H2,14,15).
What are the key properties of 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine?
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).