2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine

C11H21N — CID 70542347

IUPAC2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine
SMILESCCCCCC1=CCNC(C)C1
InChIInChI=1S/C11H21N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyQGXHILOFRLCISD-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine

2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine (PubChem CID 70542347) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine
PubChem CID70542347
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine
SMILESCCCCCC1=CCNC(C)C1
InChIInChI=1S/C11H21N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyQGXHILOFRLCISD-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine (CID 70542347) is 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine is CCCCCC1=CCNC(C)C1.
What is the InChIKey of 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine?
The InChIKey is QGXHILOFRLCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-6-11-7-8-12-10(2)9-11/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine?
2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 70542347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).