N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine

C8H11N2+ — CID 123678450

IUPACN-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine
SMILESCC/N=C1/[CH+]C=CC(C)=N1
InChIInChI=1S/C8H11N2/c1-3-9-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3/q+1/b9-8-
InChIKeyGTPBHTRUGDEBOA-HJWRWDBZSA-N
MW135.19 g/mol
LogP1.64
Rot. Bonds1

About N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine

N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine (PubChem CID 123678450) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine.

Molecular Properties

Compound NameN-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine
PubChem CID123678450
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC NameN-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine
SMILESCC/N=C1/[CH+]C=CC(C)=N1
InChIInChI=1S/C8H11N2/c1-3-9-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3/q+1/b9-8-
InChIKeyGTPBHTRUGDEBOA-HJWRWDBZSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-ethyl-3aH-benzimidazole
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2-Ethyl-2,5-dimethylimidazo[4,5-b]pyridine
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2,7-dimethyl-4H-1,3-diazepine
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2-N,3-N-dipentylpyridine-2,3-diimine
CID 68572089
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-2-imine
CID 123751532
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 129275588
N'-methyl-N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 130312375
(Z)-2-methylimino-N'-propylpent-3-enimidamide
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CID 139455721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine?
The IUPAC name of N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine (CID 123678450) is N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine.
What is the SMILES notation for N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine?
The canonical SMILES for N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine is CC/N=C1/[CH+]C=CC(C)=N1.
What is the InChIKey of N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine?
The InChIKey is GTPBHTRUGDEBOA-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H11N2/c1-3-9-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3/q+1/b9-8-.
What are the key properties of N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine?
N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine has a molecular weight of 135.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine is sourced from PubChem (CID 123678450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).