1-undecyl-4H-pyridine

C16H29N — CID 14921982

IUPAC1-undecyl-4H-pyridine
SMILESCCCCCCCCCCCN1C=CCC=C1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h12-13,15-16H,2-11,14H2,1H3
InChIKeyASPPPIPRXRRTEO-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.25
Rot. Bonds10

About 1-undecyl-4H-pyridine

1-undecyl-4H-pyridine (PubChem CID 14921982) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-undecyl-4H-pyridine.

Molecular Properties

Compound Name1-undecyl-4H-pyridine
PubChem CID14921982
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-undecyl-4H-pyridine
SMILESCCCCCCCCCCCN1C=CCC=C1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h12-13,15-16H,2-11,14H2,1H3
InChIKeyASPPPIPRXRRTEO-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4H-pyridine
CID 14921976
1-hexylazepine
CID 174889466
azane;1-dodecylazepine;nitroxyl
CID 174929490
1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
CID 172750361
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 1-undecyl-4H-pyridine?
The IUPAC name of 1-undecyl-4H-pyridine (CID 14921982) is 1-undecyl-4H-pyridine.
What is the SMILES notation for 1-undecyl-4H-pyridine?
The canonical SMILES for 1-undecyl-4H-pyridine is CCCCCCCCCCCN1C=CCC=C1.
What is the InChIKey of 1-undecyl-4H-pyridine?
The InChIKey is ASPPPIPRXRRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h12-13,15-16H,2-11,14H2,1H3.
What are the key properties of 1-undecyl-4H-pyridine?
1-undecyl-4H-pyridine has a molecular weight of 235.41 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecyl-4H-pyridine is sourced from PubChem (CID 14921982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).