6-bromo-N-(5-methylhexyl)pyridin-2-amine

C12H19BrN2 — CID 115326764

IUPAC6-bromo-N-(5-methylhexyl)pyridin-2-amine
SMILESCC(C)CCCCNc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-10(2)6-3-4-9-14-12-8-5-7-11(13)15-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,15)
InChIKeyXVOOXUYDGDYOLP-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.08
Rot. Bonds6

About 6-bromo-N-(5-methylhexyl)pyridin-2-amine

6-bromo-N-(5-methylhexyl)pyridin-2-amine (PubChem CID 115326764) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 6-bromo-N-(5-methylhexyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(5-methylhexyl)pyridin-2-amine
PubChem CID115326764
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name6-bromo-N-(5-methylhexyl)pyridin-2-amine
SMILESCC(C)CCCCNc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-10(2)6-3-4-9-14-12-8-5-7-11(13)15-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,15)
InChIKeyXVOOXUYDGDYOLP-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107154989

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-methylhexyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(5-methylhexyl)pyridin-2-amine (CID 115326764) is 6-bromo-N-(5-methylhexyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(5-methylhexyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(5-methylhexyl)pyridin-2-amine is CC(C)CCCCNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(5-methylhexyl)pyridin-2-amine?
The InChIKey is XVOOXUYDGDYOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10(2)6-3-4-9-14-12-8-5-7-11(13)15-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,14,15).
What are the key properties of 6-bromo-N-(5-methylhexyl)pyridin-2-amine?
6-bromo-N-(5-methylhexyl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-methylhexyl)pyridin-2-amine is sourced from PubChem (CID 115326764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).