1-pentyl-4H-pyridine

C10H17N — CID 14921976

IUPAC1-pentyl-4H-pyridine
SMILESCCCCCN1C=CCC=C1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyHQJROUCYPNOBFU-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.91
Rot. Bonds4

About 1-pentyl-4H-pyridine

1-pentyl-4H-pyridine (PubChem CID 14921976) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-pentyl-4H-pyridine.

Molecular Properties

Compound Name1-pentyl-4H-pyridine
PubChem CID14921976
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-pentyl-4H-pyridine
SMILESCCCCCN1C=CCC=C1
InChIInChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyHQJROUCYPNOBFU-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.91
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-undecyl-4H-pyridine
CID 14921982
1-hexylazepine
CID 174889466
azane;1-dodecylazepine;nitroxyl
CID 174929490
1-pentyl-2,5-dihydropyrrole
CID 69341797
1-methyl-4-(1-tetradecyl-4-pyridinylidene)pyridine;dihydrochloride
CID 172750361
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
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

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4H-pyridine?
The IUPAC name of 1-pentyl-4H-pyridine (CID 14921976) is 1-pentyl-4H-pyridine.
What is the SMILES notation for 1-pentyl-4H-pyridine?
The canonical SMILES for 1-pentyl-4H-pyridine is CCCCCN1C=CCC=C1.
What is the InChIKey of 1-pentyl-4H-pyridine?
The InChIKey is HQJROUCYPNOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-5-8-11-9-6-4-7-10-11/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 1-pentyl-4H-pyridine?
1-pentyl-4H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4H-pyridine is sourced from PubChem (CID 14921976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).