4-pyridin-4-ylbutylazanium chloride

C9H15ClN2 — CID 23273592

IUPAC4-pyridin-4-ylbutylazanium chloride
SMILES[Cl-].[NH3+]CCCCc1ccncc1
InChIInChI=1S/C9H14N2.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6,10H2;1H
InChIKeyWEGADLGZRTZOAJ-UHFFFAOYSA-N
MW186.69 g/mol
LogP-2.35
Rot. Bonds4

About 4-pyridin-4-ylbutylazanium chloride

4-pyridin-4-ylbutylazanium chloride (PubChem CID 23273592) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 4-pyridin-4-ylbutylazanium chloride.

Molecular Properties

Compound Name4-pyridin-4-ylbutylazanium chloride
PubChem CID23273592
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name4-pyridin-4-ylbutylazanium chloride
SMILES[Cl-].[NH3+]CCCCc1ccncc1
InChIInChI=1S/C9H14N2.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6,10H2;1H
InChIKeyWEGADLGZRTZOAJ-UHFFFAOYSA-N
XLogP-2.35
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 5-2.35
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

5-pyridin-4-ylpentylazanium chloride
CID 23273749
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
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-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
pyridin-4-ylmethylazanium
CID 3822501
4-nonadec-10-enylpyridine
CID 71356376
4-pyridin-4-ylbutane-1-sulfonic acid
CID 139889717

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylbutylazanium chloride?
The IUPAC name of 4-pyridin-4-ylbutylazanium chloride (CID 23273592) is 4-pyridin-4-ylbutylazanium chloride.
What is the SMILES notation for 4-pyridin-4-ylbutylazanium chloride?
The canonical SMILES for 4-pyridin-4-ylbutylazanium chloride is [Cl-].[NH3+]CCCCc1ccncc1.
What is the InChIKey of 4-pyridin-4-ylbutylazanium chloride?
The InChIKey is WEGADLGZRTZOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.ClH/c10-6-2-1-3-9-4-7-11-8-5-9;/h4-5,7-8H,1-3,6,10H2;1H.
What are the key properties of 4-pyridin-4-ylbutylazanium chloride?
4-pyridin-4-ylbutylazanium chloride has a molecular weight of 186.69 g/mol, XLogP of -2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylbutylazanium chloride is sourced from PubChem (CID 23273592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).