6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine

C15H26N4O2 — CID 107818912

IUPAC6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCCCCCC(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-12(2)8-6-4-5-7-11-17-15-13(19(20)21)9-10-14(16-3)18-15/h9-10,12H,4-8,11H2,1-3H3,(H2,16,17,18)
InChIKeyLDMNMAIXDKEDDR-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.05
Rot. Bonds10

About 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine

6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine (PubChem CID 107818912) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
PubChem CID107818912
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCCCCCC(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-12(2)8-6-4-5-7-11-17-15-13(19(20)21)9-10-14(16-3)18-15/h9-10,12H,4-8,11H2,1-3H3,(H2,16,17,18)
InChIKeyLDMNMAIXDKEDDR-UHFFFAOYSA-N
XLogP4.05
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
CID 115523197
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
CID 80850424
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
5-chloro-N-(5-methylhexyl)-2-nitroaniline
CID 113316036

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine (CID 107818912) is 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCCCCCC(C)C)n1.
What is the InChIKey of 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine?
The InChIKey is LDMNMAIXDKEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)8-6-4-5-7-11-17-15-13(19(20)21)9-10-14(16-3)18-15/h9-10,12H,4-8,11H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine?
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine has a molecular weight of 294.40 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 107818912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).