6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide

C6H11IN2 — CID 134876873

IUPAC6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide
SMILESCC1=CC=CC[NH+]1N.[I-]
InChIInChI=1S/C6H10N2.HI/c1-6-4-2-3-5-8(6)7;/h2-4H,5,7H2,1H3;1H
InChIKeyXJLPKHJPWDHOGK-UHFFFAOYSA-N
MW238.07 g/mol
LogP-3.78
Rot. Bonds

About 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide

6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide (PubChem CID 134876873) has the molecular formula C6H11IN2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide.

Molecular Properties

Compound Name6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide
PubChem CID134876873
Molecular FormulaC6H11IN2
Molecular Weight238.07 g/mol
Exact Mass238.00
IUPAC Name6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide
SMILESCC1=CC=CC[NH+]1N.[I-]
InChIInChI=1S/C6H10N2.HI/c1-6-4-2-3-5-8(6)7;/h2-4H,5,7H2,1H3;1H
InChIKeyXJLPKHJPWDHOGK-UHFFFAOYSA-N
XLogP-3.78
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 5-3.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide?
The IUPAC name of 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide (CID 134876873) is 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide.
What is the SMILES notation for 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide?
The canonical SMILES for 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide is CC1=CC=CC[NH+]1N.[I-].
What is the InChIKey of 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide?
The InChIKey is XJLPKHJPWDHOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.HI/c1-6-4-2-3-5-8(6)7;/h2-4H,5,7H2,1H3;1H.
What are the key properties of 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide?
6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide has a molecular weight of 238.07 g/mol, XLogP of -3.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydropyridin-1-ium-1-amine iodide is sourced from PubChem (CID 134876873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).