(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium

C10H19N2+ — CID 123346098

IUPAC(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
SMILESCC1=NC(C)C([N+](C)(C)C)C=C1
InChIInChI=1S/C10H19N2/c1-8-6-7-10(9(2)11-8)12(3,4)5/h6-7,9-10H,1-5H3/q+1
InChIKeyKGYAJFOQNIUXRL-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.48
Rot. Bonds1

About (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium

(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium (PubChem CID 123346098) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium.

Molecular Properties

Compound Name(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
PubChem CID123346098
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
SMILESCC1=NC(C)C([N+](C)(C)C)C=C1
InChIInChI=1S/C10H19N2/c1-8-6-7-10(9(2)11-8)12(3,4)5/h6-7,9-10H,1-5H3/q+1
InChIKeyKGYAJFOQNIUXRL-UHFFFAOYSA-N
XLogP1.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
CID 18779429
N-butyl-1-methyl-2,6-dihydropyridin-3-imine
CID 57045078
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
CID 57171418
N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
CID 66612937
N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 67865768
(2S)-N,N,2-trimethyl-2,3-dihydropyridin-3-amine
CID 67991661
1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
CID 70912867
2-ethyl-1-methyl-3,9-dihydro-2H-cyclohepta[b]pyrazin-1-ium
CID 91803313
2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
CID 123382111
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
Methyl-(6-methyliminocyclohexa-2,4-dien-1-yl)azanide
CID 141772943
2-(2,3-dihydropyridin-6-yl)-N,N-dimethylethanamine
CID 141943598

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium?
The IUPAC name of (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium (CID 123346098) is (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium.
What is the SMILES notation for (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium?
The canonical SMILES for (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium is CC1=NC(C)C([N+](C)(C)C)C=C1.
What is the InChIKey of (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium?
The InChIKey is KGYAJFOQNIUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2/c1-8-6-7-10(9(2)11-8)12(3,4)5/h6-7,9-10H,1-5H3/q+1.
What are the key properties of (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium?
(2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium has a molecular weight of 167.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium is sourced from PubChem (CID 123346098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).