5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine

C15H25N3O2 — CID 107816181

IUPAC5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
SMILESCc1cnc(NCCCCCCC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O2/c1-12(2)8-6-4-5-7-9-16-15-10-14(18(19)20)13(3)11-17-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyOMAWZZIQHJXSGP-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.32
Rot. Bonds9

About 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine

5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine (PubChem CID 107816181) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
PubChem CID107816181
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
SMILESCc1cnc(NCCCCCCC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O2/c1-12(2)8-6-4-5-7-9-16-15-10-14(18(19)20)13(3)11-17-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyOMAWZZIQHJXSGP-UHFFFAOYSA-N
XLogP4.32
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
CID 83267138
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
CID 83266871
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
4-fluoro-5-methyl-N-(7-methyloctyl)-2-nitroaniline
CID 107816072
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine (CID 107816181) is 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine is Cc1cnc(NCCCCCCC(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine?
The InChIKey is OMAWZZIQHJXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)8-6-4-5-7-9-16-15-10-14(18(19)20)13(3)11-17-15/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine?
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine has a molecular weight of 279.38 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 107816181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).