1-methyl-2,3,4,6-tetrahydroquinolin-1-ium

C10H14N+ — CID 122386245

IUPAC1-methyl-2,3,4,6-tetrahydroquinolin-1-ium
SMILESC[N+]1=C2C=CCC=C2CCC1
InChIInChI=1S/C10H14N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h3,5,7H,2,4,6,8H2,1H3/q+1
InChIKeyMBBUXJWTJOETAS-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.75
Rot. Bonds

About 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium

1-methyl-2,3,4,6-tetrahydroquinolin-1-ium (PubChem CID 122386245) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name1-methyl-2,3,4,6-tetrahydroquinolin-1-ium
PubChem CID122386245
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name1-methyl-2,3,4,6-tetrahydroquinolin-1-ium
SMILESC[N+]1=C2C=CCC=C2CCC1
InChIInChI=1S/C10H14N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h3,5,7H,2,4,6,8H2,1H3/q+1
InChIKeyMBBUXJWTJOETAS-UHFFFAOYSA-N
XLogP1.75
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
2,3,4,6,7,8-Hexahydroquinoline
CID 10986285
2,3,4,6-Tetrahydroquinoline
CID 20558379
2,3,4,7,8,9-Hexahydropyrido[2,3-g]quinoline
CID 21835857
2-Methyl-3,5,8,8a-tetrahydroquinoline
CID 53954316
2,3,5,8-Tetrahydroquinoline
CID 57204244
3-Methyl-2,3,5,8-tetrahydroquinoline
CID 57323267
1,2-Dimethyl-2,3-dihydroquinolin-1-ium
CID 89324226
1-Methyl-3,4,5,6-tetrahydroisoquinoline
CID 90885673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium?
The IUPAC name of 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium (CID 122386245) is 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium.
What is the SMILES notation for 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium?
The canonical SMILES for 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium is C[N+]1=C2C=CCC=C2CCC1.
What is the InChIKey of 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium?
The InChIKey is MBBUXJWTJOETAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h3,5,7H,2,4,6,8H2,1H3/q+1.
What are the key properties of 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium?
1-methyl-2,3,4,6-tetrahydroquinolin-1-ium has a molecular weight of 148.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,6-tetrahydroquinolin-1-ium is sourced from PubChem (CID 122386245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).