1-propylpyridin-4-imine;hydroiodide

C8H13IN2 — CID 52997068

IUPAC1-propylpyridin-4-imine;hydroiodide
SMILESI.[H]N=c1ccn(CCC)cc1
InChIInChI=1S/C8H12N2.HI/c1-2-5-10-6-3-8(9)4-7-10;/h3-4,6-7,9H,2,5H2,1H3;1H
InChIKeyWVVNHWDLKWXWAS-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.00
Rot. Bonds2

About 1-propylpyridin-4-imine;hydroiodide

1-propylpyridin-4-imine;hydroiodide (PubChem CID 52997068) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-propylpyridin-4-imine;hydroiodide.

Molecular Properties

Compound Name1-propylpyridin-4-imine;hydroiodide
PubChem CID52997068
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name1-propylpyridin-4-imine;hydroiodide
SMILESI.[H]N=c1ccn(CCC)cc1
InChIInChI=1S/C8H12N2.HI/c1-2-5-10-6-3-8(9)4-7-10;/h3-4,6-7,9H,2,5H2,1H3;1H
InChIKeyWVVNHWDLKWXWAS-UHFFFAOYSA-N
XLogP2.00
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propylpyridin-4-imine;hydroiodide 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

1-Heptyl-1H-pyridin-4-ylideneamine
CID 9551797
1-ethylpyridin-4(1H)-imine hydrobromide
CID 6603238
1-methylpyridin-4(1H)-imine
CID 817189
1-pentylpyridin-4(1H)-imine hydroiodide
CID 6603239
1-Methylpyridin-4-imine;hydroiodide
CID 45926723
1-ethylpyridin-4(1H)-imine
CID 657409
N,1-dimethylpyridin-4-imine;hydroiodide
CID 45260548
1-Hexylpyridin-4-imine
CID 657407
1-butylpyridin-4(1H)-imine
CID 1827817
1-methyl-N-propan-2-ylpyridin-4-imine
CID 25265946
1-pentylpyridin-4(1H)-imine
CID 657413
N,1-dimethylpyridin-4-imine
CID 44303848

Frequently Asked Questions

What is the IUPAC name of 1-propylpyridin-4-imine;hydroiodide?
The IUPAC name of 1-propylpyridin-4-imine;hydroiodide (CID 52997068) is 1-propylpyridin-4-imine;hydroiodide.
What is the SMILES notation for 1-propylpyridin-4-imine;hydroiodide?
The canonical SMILES for 1-propylpyridin-4-imine;hydroiodide is I.[H]N=c1ccn(CCC)cc1.
What is the InChIKey of 1-propylpyridin-4-imine;hydroiodide?
The InChIKey is WVVNHWDLKWXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.HI/c1-2-5-10-6-3-8(9)4-7-10;/h3-4,6-7,9H,2,5H2,1H3;1H.
What are the key properties of 1-propylpyridin-4-imine;hydroiodide?
1-propylpyridin-4-imine;hydroiodide has a molecular weight of 264.11 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyridin-4-imine;hydroiodide is sourced from PubChem (CID 52997068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).