1,5,6-trimethyl-3H-pyridin-1-ium-4-imine

C8H13N2+ — CID 7340195

IUPAC1,5,6-trimethyl-3H-pyridin-1-ium-4-imine
SMILES[H]/N=C1\CC=[N+](C)C(C)=C1C
InChIInChI=1S/C8H13N2/c1-6-7(2)10(3)5-4-8(6)9/h5,9H,4H2,1-3H3/q+1/b9-8+
InChIKeyFPKCHBHHOYZERT-CMDGGOBGSA-N
MW137.21 g/mol
LogP1.42
Rot. Bonds

About 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine

1,5,6-trimethyl-3H-pyridin-1-ium-4-imine (PubChem CID 7340195) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine.

Molecular Properties

Compound Name1,5,6-trimethyl-3H-pyridin-1-ium-4-imine
PubChem CID7340195
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name1,5,6-trimethyl-3H-pyridin-1-ium-4-imine
SMILES[H]/N=C1\CC=[N+](C)C(C)=C1C
InChIInChI=1S/C8H13N2/c1-6-7(2)10(3)5-4-8(6)9/h5,9H,4H2,1-3H3/q+1/b9-8+
InChIKeyFPKCHBHHOYZERT-CMDGGOBGSA-N
XLogP1.42
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine?
The IUPAC name of 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine (CID 7340195) is 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine.
What is the SMILES notation for 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine?
The canonical SMILES for 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine is [H]/N=C1\CC=[N+](C)C(C)=C1C.
What is the InChIKey of 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine?
The InChIKey is FPKCHBHHOYZERT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N2/c1-6-7(2)10(3)5-4-8(6)9/h5,9H,4H2,1-3H3/q+1/b9-8+.
What are the key properties of 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine?
1,5,6-trimethyl-3H-pyridin-1-ium-4-imine has a molecular weight of 137.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-3H-pyridin-1-ium-4-imine is sourced from PubChem (CID 7340195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).