6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine

C12H19N3O2 — CID 81138251

IUPAC6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nc(C)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O2/c1-5-10(8(2)3)14-12-11(15(16)17)7-6-9(4)13-12/h6-8,10H,5H2,1-4H3,(H,13,14)
InChIKeyCQOHQGBZKZUHGG-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.14
Rot. Bonds5

About 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine

6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine (PubChem CID 81138251) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
PubChem CID81138251
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
SMILESCCC(Nc1nc(C)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O2/c1-5-10(8(2)3)14-12-11(15(16)17)7-6-9(4)13-12/h6-8,10H,5H2,1-4H3,(H,13,14)
InChIKeyCQOHQGBZKZUHGG-UHFFFAOYSA-N
XLogP3.14
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 81139032
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 81137677
2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
CID 81139931
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404286
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138254

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine (CID 81138251) is 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine is CCC(Nc1nc(C)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
The InChIKey is CQOHQGBZKZUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-10(8(2)3)14-12-11(15(16)17)7-6-9(4)13-12/h6-8,10H,5H2,1-4H3,(H,13,14).
What are the key properties of 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine?
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 81138251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).