2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine

C17H33N — CID 15706651

IUPAC2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCC1=NC(C)CCC1
InChIInChI=1S/C17H33N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16H,3-15H2,1-2H3
InChIKeyAJBJEVCKGVWCJU-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.92
Rot. Bonds10

About 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine

2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine (PubChem CID 15706651) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
PubChem CID15706651
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
SMILESCCCCCCCCCCCC1=NC(C)CCC1
InChIInChI=1S/C17H33N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16H,3-15H2,1-2H3
InChIKeyAJBJEVCKGVWCJU-UHFFFAOYSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-undecyl-3,4-dihydro-2H-pyrrole
CID 573986
methyl 8-(6-pentyl-2,3,4,5-tetrahydropyridin-2-yl)octanoate
CID 10781216
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
2-hex-5-enyl-5-nonyl-3,4-dihydro-2H-pyrrole
CID 162889339
2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
CID 70405269
ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
CID 143434835
6-heptyl-2,5-dimethyl-2,3-dihydropyrazine
CID 6429370
1,2-dihexylcyclohexene
CID 19795043
3-octyl-4,5-dihydro-1,2-thiazole
CID 22238552
3-chloro-1-octylcycloheptene
CID 107383725
1-methyl-2-nonylidenecyclopentane
CID 123463809
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine (CID 15706651) is 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine is CCCCCCCCCCCC1=NC(C)CCC1.
What is the InChIKey of 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine?
The InChIKey is AJBJEVCKGVWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16H,3-15H2,1-2H3.
What are the key properties of 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine?
2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine has a molecular weight of 251.46 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 15706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).