4-nonan-5-yl-1,2,3,6-tetrahydropyridine

C14H27N — CID 138459744

IUPAC4-nonan-5-yl-1,2,3,6-tetrahydropyridine
SMILESCCCCC(CCCC)C1=CCNCC1
InChIInChI=1S/C14H27N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeyOEQLDQZLEFCRLO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds7

About 4-nonan-5-yl-1,2,3,6-tetrahydropyridine

4-nonan-5-yl-1,2,3,6-tetrahydropyridine (PubChem CID 138459744) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-nonan-5-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-nonan-5-yl-1,2,3,6-tetrahydropyridine
PubChem CID138459744
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-nonan-5-yl-1,2,3,6-tetrahydropyridine
SMILESCCCCC(CCCC)C1=CCNCC1
InChIInChI=1S/C14H27N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h9,13,15H,3-8,10-12H2,1-2H3
InChIKeyOEQLDQZLEFCRLO-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nonan-5-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-nonan-5-yl-1,2,3,6-tetrahydropyridine (CID 138459744) is 4-nonan-5-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-nonan-5-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-nonan-5-yl-1,2,3,6-tetrahydropyridine is CCCCC(CCCC)C1=CCNCC1.
What is the InChIKey of 4-nonan-5-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is OEQLDQZLEFCRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h9,13,15H,3-8,10-12H2,1-2H3.
What are the key properties of 4-nonan-5-yl-1,2,3,6-tetrahydropyridine?
4-nonan-5-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonan-5-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 138459744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).