4-ethenylpyridine;octadecan-1-amine;hydroiodide

C25H47IN2 — CID 175046759

IUPAC4-ethenylpyridine;octadecan-1-amine;hydroiodide
SMILESC=Cc1ccncc1.CCCCCCCCCCCCCCCCCCN.I
InChIInChI=1S/C18H39N.C7H7N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-7-3-5-8-6-4-7;/h2-19H2,1H3;2-6H,1H2;1H
InChIKeyVHEAWIGVMYXUFF-UHFFFAOYSA-N
MW502.57 g/mol
LogP8.55
Rot. Bonds17

About 4-ethenylpyridine;octadecan-1-amine;hydroiodide

4-ethenylpyridine;octadecan-1-amine;hydroiodide (PubChem CID 175046759) has the molecular formula C25H47IN2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 4-ethenylpyridine;octadecan-1-amine;hydroiodide.

Molecular Properties

Compound Name4-ethenylpyridine;octadecan-1-amine;hydroiodide
PubChem CID175046759
Molecular FormulaC25H47IN2
Molecular Weight502.57 g/mol
Exact Mass502.28
IUPAC Name4-ethenylpyridine;octadecan-1-amine;hydroiodide
SMILESC=Cc1ccncc1.CCCCCCCCCCCCCCCCCCN.I
InChIInChI=1S/C18H39N.C7H7N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-7-3-5-8-6-4-7;/h2-19H2,1H3;2-6H,1H2;1H
InChIKeyVHEAWIGVMYXUFF-UHFFFAOYSA-N
XLogP8.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylpyridine;trihydrobromide
CID 67161394
benzene;bis(4-ethenylpyridine)
CID 175139970
hexadecan-1-amine;hydroiodide
CID 173125534
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
4-ethenylpyridine;nitroxyl
CID 157255604
4-ethenylpyridine;ethyl carbamate
CID 174889684
potassium;octadecan-1-amine;chloride
CID 174768392
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of 4-ethenylpyridine;octadecan-1-amine;hydroiodide?
The IUPAC name of 4-ethenylpyridine;octadecan-1-amine;hydroiodide (CID 175046759) is 4-ethenylpyridine;octadecan-1-amine;hydroiodide.
What is the SMILES notation for 4-ethenylpyridine;octadecan-1-amine;hydroiodide?
The canonical SMILES for 4-ethenylpyridine;octadecan-1-amine;hydroiodide is C=Cc1ccncc1.CCCCCCCCCCCCCCCCCCN.I.
What is the InChIKey of 4-ethenylpyridine;octadecan-1-amine;hydroiodide?
The InChIKey is VHEAWIGVMYXUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C7H7N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-7-3-5-8-6-4-7;/h2-19H2,1H3;2-6H,1H2;1H.
What are the key properties of 4-ethenylpyridine;octadecan-1-amine;hydroiodide?
4-ethenylpyridine;octadecan-1-amine;hydroiodide has a molecular weight of 502.57 g/mol, XLogP of 8.55, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpyridine;octadecan-1-amine;hydroiodide is sourced from PubChem (CID 175046759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).