6-hexan-3-yl-2-methylpyridine-3-carbaldehyde

C13H19NO — CID 175979795

IUPAC6-hexan-3-yl-2-methylpyridine-3-carbaldehyde
SMILESCCCC(CC)c1ccc(C=O)c(C)n1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)13-8-7-12(9-15)10(3)14-13/h7-9,11H,4-6H2,1-3H3
InChIKeyXELUEJBDVPGSKV-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.50
Rot. Bonds5

About 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde

6-hexan-3-yl-2-methylpyridine-3-carbaldehyde (PubChem CID 175979795) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-hexan-3-yl-2-methylpyridine-3-carbaldehyde
PubChem CID175979795
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-hexan-3-yl-2-methylpyridine-3-carbaldehyde
SMILESCCCC(CC)c1ccc(C=O)c(C)n1
InChIInChI=1S/C13H19NO/c1-4-6-11(5-2)13-8-7-12(9-15)10(3)14-13/h7-9,11H,4-6H2,1-3H3
InChIKeyXELUEJBDVPGSKV-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde (CID 175979795) is 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde is CCCC(CC)c1ccc(C=O)c(C)n1.
What is the InChIKey of 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde?
The InChIKey is XELUEJBDVPGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-11(5-2)13-8-7-12(9-15)10(3)14-13/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde?
6-hexan-3-yl-2-methylpyridine-3-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 175979795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).