carbanide;1,4-dimethylpyridin-1-ium

C8H13N — CID 158890367

IUPACcarbanide;1,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](C)cc1.[CH3-]
InChIInChI=1S/C7H10N.CH3/c1-7-3-5-8(2)6-4-7;/h3-6H,1-2H3;1H3/q+1;-1
InChIKeyJEDQRHFZHAMYGM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.27
Rot. Bonds

About carbanide;1,4-dimethylpyridin-1-ium

carbanide;1,4-dimethylpyridin-1-ium (PubChem CID 158890367) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is carbanide;1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Namecarbanide;1,4-dimethylpyridin-1-ium
PubChem CID158890367
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namecarbanide;1,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](C)cc1.[CH3-]
InChIInChI=1S/C7H10N.CH3/c1-7-3-5-8(2)6-4-7;/h3-6H,1-2H3;1H3/q+1;-1
InChIKeyJEDQRHFZHAMYGM-UHFFFAOYSA-N
XLogP1.27
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium
CID 162287352
benzenesulfonate;1,4-dimethylpyridin-1-ium
CID 134158648
4-(4-chlorophenyl)-1-methylpyridin-1-ium
CID 24799632
1-hydroxy-4-methylpyridin-1-ium
CID 3877972
4-bromo-1-methylpyridin-1-ium iodide
CID 12934371
1-methyl-4-methylsulfanylpyridin-1-ium
CID 3040626
1-methyl-N-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-4-amine diiodide
CID 71774165
4-methylbenzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde
CID 10979250
1-ethyl-4-methylpyridin-1-ium bromide
CID 14358228
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
1-methyl-4-[4-(1-methylpyridin-1-ium-4-yl)buta-1,3-diynyl]pyridin-1-ium
CID 11318573
3-(4-methylpyridin-1-ium-1-yl)propan-1-amine bromide
CID 162340463

Frequently Asked Questions

What is the IUPAC name of carbanide;1,4-dimethylpyridin-1-ium?
The IUPAC name of carbanide;1,4-dimethylpyridin-1-ium (CID 158890367) is carbanide;1,4-dimethylpyridin-1-ium.
What is the SMILES notation for carbanide;1,4-dimethylpyridin-1-ium?
The canonical SMILES for carbanide;1,4-dimethylpyridin-1-ium is Cc1cc[n+](C)cc1.[CH3-].
What is the InChIKey of carbanide;1,4-dimethylpyridin-1-ium?
The InChIKey is JEDQRHFZHAMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.CH3/c1-7-3-5-8(2)6-4-7;/h3-6H,1-2H3;1H3/q+1;-1.
What are the key properties of carbanide;1,4-dimethylpyridin-1-ium?
carbanide;1,4-dimethylpyridin-1-ium has a molecular weight of 123.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 158890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).