(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine

C9H15N2+ — CID 59838086

IUPAC(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine
SMILESCc1cc(C)[n+](CN)c(C)c1
InChIInChI=1S/C9H15N2/c1-7-4-8(2)11(6-10)9(3)5-7/h4-5H,6,10H2,1-3H3/q+1
InChIKeyYRBJLBPQSLMGGL-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.82
Rot. Bonds1

About (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine

(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine (PubChem CID 59838086) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine.

Molecular Properties

Compound Name(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine
PubChem CID59838086
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine
SMILESCc1cc(C)[n+](CN)c(C)c1
InChIInChI=1S/C9H15N2/c1-7-4-8(2)11(6-10)9(3)5-7/h4-5H,6,10H2,1-3H3/q+1
InChIKeyYRBJLBPQSLMGGL-UHFFFAOYSA-N
XLogP0.82
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine?
The IUPAC name of (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine (CID 59838086) is (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine.
What is the SMILES notation for (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine?
The canonical SMILES for (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine is Cc1cc(C)[n+](CN)c(C)c1.
What is the InChIKey of (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine?
The InChIKey is YRBJLBPQSLMGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-7-4-8(2)11(6-10)9(3)5-7/h4-5H,6,10H2,1-3H3/q+1.
What are the key properties of (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine?
(2,4,6-trimethylpyridin-1-ium-1-yl)methanamine has a molecular weight of 151.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylpyridin-1-ium-1-yl)methanamine is sourced from PubChem (CID 59838086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).