6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine

C10H15N3O2 — CID 81138941

IUPAC6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-11-10-9(13(14)15)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyQHIZEKBZKPLYRW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.37
Rot. Bonds4

About 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine

6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine (PubChem CID 81138941) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
PubChem CID81138941
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-11-10-9(13(14)15)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyQHIZEKBZKPLYRW-UHFFFAOYSA-N
XLogP2.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.37
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

2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 81138787
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
CID 107816616
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 113260898
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine (CID 81138941) is 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCC(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine?
The InChIKey is QHIZEKBZKPLYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)6-11-10-9(13(14)15)5-4-8(3)12-10/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine?
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 81138941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).