1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium

C9H16N+ — CID 118916334

IUPAC1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium
SMILESCC1=C(C)[N+](C)=CCC1C
InChIInChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h6-7H,5H2,1-4H3/q+1
InChIKeyAJCKWFZVTNBBDD-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.03
Rot. Bonds

About 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium

1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium (PubChem CID 118916334) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium
PubChem CID118916334
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium
SMILESCC1=C(C)[N+](C)=CCC1C
InChIInChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h6-7H,5H2,1-4H3/q+1
InChIKeyAJCKWFZVTNBBDD-UHFFFAOYSA-N
XLogP2.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium?
The IUPAC name of 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium (CID 118916334) is 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium?
The canonical SMILES for 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium is CC1=C(C)[N+](C)=CCC1C.
What is the InChIKey of 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium?
The InChIKey is AJCKWFZVTNBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h6-7H,5H2,1-4H3/q+1.
What are the key properties of 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium?
1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethyl-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 118916334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).