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

C7H12N+ — CID 161178061

IUPAC3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
SMILESCC1C=[C+]NCC1C
InChIInChI=1S/C7H12N/c1-6-3-4-8-5-7(6)2/h3,6-8H,5H2,1-2H3/q+1
InChIKeyWCAXELJFAAOVPC-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.18
Rot. Bonds

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

3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium (PubChem CID 161178061) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium.

Molecular Properties

Compound Name3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
PubChem CID161178061
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium
SMILESCC1C=[C+]NCC1C
InChIInChI=1S/C7H12N/c1-6-3-4-8-5-7(6)2/h3,6-8H,5H2,1-2H3/q+1
InChIKeyWCAXELJFAAOVPC-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.18
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 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The IUPAC name of 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium (CID 161178061) is 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium.
What is the SMILES notation for 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The canonical SMILES for 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium is CC1C=[C+]NCC1C.
What is the InChIKey of 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
The InChIKey is WCAXELJFAAOVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c1-6-3-4-8-5-7(6)2/h3,6-8H,5H2,1-2H3/q+1.
What are the key properties of 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium?
3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium has a molecular weight of 110.18 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3,4,6-tetrahydro-1H-pyridin-6-ylium is sourced from PubChem (CID 161178061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).