2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine

C13H20N4O2 — CID 80820849

IUPAC2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
SMILESCC1CCCCC1N(C)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-5-3-4-6-10(9)16(2)13-11(17(18)19)7-8-12(14)15-13/h7-10H,3-6H2,1-2H3,(H2,14,15)
InChIKeyGEQQCAAZUDVHGT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.59
Rot. Bonds3

About 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine

2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine (PubChem CID 80820849) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
PubChem CID80820849
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
SMILESCC1CCCCC1N(C)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-5-3-4-6-10(9)16(2)13-11(17(18)19)7-8-12(14)15-13/h7-10H,3-6H2,1-2H3,(H2,14,15)
InChIKeyGEQQCAAZUDVHGT-UHFFFAOYSA-N
XLogP2.59
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.59
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-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
CID 80806821
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 81136340
2-N,6-dimethyl-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 81131626
3-amino-N-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 62680515
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
CID 61447300
3-N-methyl-3-N-(2-methylcyclohexyl)quinoxaline-2,3-diamine
CID 102986061
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 81136058
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine (CID 80820849) is 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine is CC1CCCCC1N(C)c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine?
The InChIKey is GEQQCAAZUDVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-5-3-4-6-10(9)16(2)13-11(17(18)19)7-8-12(14)15-13/h7-10H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine?
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80820849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).