2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine

C15H24N4O2 — CID 80771612

IUPAC2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-10-16-14-9-8-13(19(20)21)15(18-14)17-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,16,17,18)
InChIKeyHMMVQJSYQCLWCZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.80
Rot. Bonds6

About 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine

2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine (PubChem CID 80771612) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
PubChem CID80771612
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-10-16-14-9-8-13(19(20)21)15(18-14)17-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,16,17,18)
InChIKeyHMMVQJSYQCLWCZ-UHFFFAOYSA-N
XLogP3.80
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
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-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-N-ethyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 103065315
5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
CID 80823724
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine (CID 80771612) is 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine is CCCNc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2)n1.
What is the InChIKey of 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The InChIKey is HMMVQJSYQCLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-10-16-14-9-8-13(19(20)21)15(18-14)17-12-6-4-11(2)5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine has a molecular weight of 292.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80771612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).