4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium

C6H10N+ — CID 140636974

IUPAC4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
SMILESCC1C=[C+]NCC1
InChIInChI=1S/C6H10N/c1-6-2-4-7-5-3-6/h2,6-7H,3,5H2,1H3/q+1
InChIKeyLXJQDJRCIUXQEV-UHFFFAOYSA-N
MW96.15 g/mol
LogP0.93
Rot. Bonds

About 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium

4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium (PubChem CID 140636974) has the molecular formula C6H10N+ and a molecular weight of 96.15 g/mol. Its IUPAC name is 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium.

Molecular Properties

Compound Name4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
PubChem CID140636974
Molecular FormulaC6H10N+
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Name4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
SMILESCC1C=[C+]NCC1
InChIInChI=1S/C6H10N/c1-6-2-4-7-5-3-6/h2,6-7H,3,5H2,1H3/q+1
InChIKeyLXJQDJRCIUXQEV-UHFFFAOYSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The IUPAC name of 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium (CID 140636974) is 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium.
What is the SMILES notation for 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The canonical SMILES for 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium is CC1C=[C+]NCC1.
What is the InChIKey of 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The InChIKey is LXJQDJRCIUXQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N/c1-6-2-4-7-5-3-6/h2,6-7H,3,5H2,1H3/q+1.
What are the key properties of 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium has a molecular weight of 96.15 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium is sourced from PubChem (CID 140636974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).