5-pyridin-4-ylpentylazanium chloride

C10H17ClN2 — CID 23273749

IUPAC5-pyridin-4-ylpentylazanium chloride
SMILES[Cl-].[NH3+]CCCCCc1ccncc1
InChIInChI=1S/C10H16N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h5-6,8-9H,1-4,7,11H2;1H
InChIKeyFOEMYROMULOEOZ-UHFFFAOYSA-N
MW200.71 g/mol
LogP-1.96
Rot. Bonds5

About 5-pyridin-4-ylpentylazanium chloride

5-pyridin-4-ylpentylazanium chloride (PubChem CID 23273749) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 5-pyridin-4-ylpentylazanium chloride.

Molecular Properties

Compound Name5-pyridin-4-ylpentylazanium chloride
PubChem CID23273749
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name5-pyridin-4-ylpentylazanium chloride
SMILES[Cl-].[NH3+]CCCCCc1ccncc1
InChIInChI=1S/C10H16N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h5-6,8-9H,1-4,7,11H2;1H
InChIKeyFOEMYROMULOEOZ-UHFFFAOYSA-N
XLogP-1.96
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
4-azaniumylbutyl-methyl-(2-pyridin-4-ylethyl)azanium
CID 7138427
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-nonadec-10-enylpyridine
CID 71356376
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
6-pyridin-4-ylhexanoic acid
CID 12904562
4-(5-ethylsulfanylpentyl)pyridine
CID 91563138

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylpentylazanium chloride?
The IUPAC name of 5-pyridin-4-ylpentylazanium chloride (CID 23273749) is 5-pyridin-4-ylpentylazanium chloride.
What is the SMILES notation for 5-pyridin-4-ylpentylazanium chloride?
The canonical SMILES for 5-pyridin-4-ylpentylazanium chloride is [Cl-].[NH3+]CCCCCc1ccncc1.
What is the InChIKey of 5-pyridin-4-ylpentylazanium chloride?
The InChIKey is FOEMYROMULOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h5-6,8-9H,1-4,7,11H2;1H.
What are the key properties of 5-pyridin-4-ylpentylazanium chloride?
5-pyridin-4-ylpentylazanium chloride has a molecular weight of 200.71 g/mol, XLogP of -1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylpentylazanium chloride is sourced from PubChem (CID 23273749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).