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

C11H16N4O2 — CID 80846872

IUPAC2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-12-10-5-4-9(15(16)17)11(14-10)13-7-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13,14)
InChIKeyHSGQDDZTQILJLD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.24
Rot. Bonds6

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

2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 80846872) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID80846872
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCCC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-12-10-5-4-9(15(16)17)11(14-10)13-7-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13,14)
InChIKeyHSGQDDZTQILJLD-UHFFFAOYSA-N
XLogP2.24
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.24
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

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
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
CID 115523197
6-N-methyl-3-nitro-2-N-(thiolan-3-ylmethyl)pyridine-2,6-diamine
CID 107298880
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
6-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80816559
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine (CID 80846872) is 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCCC2CC2)n1.
What is the InChIKey of 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is HSGQDDZTQILJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-10-5-4-9(15(16)17)11(14-10)13-7-6-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine?
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 236.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).