dimethyl(2H-pyridin-1-ylmethylidene)azanium

C8H13N2+ — CID 90694780

IUPACdimethyl(2H-pyridin-1-ylmethylidene)azanium
SMILESC[N+](C)=CN1C=CC=CC1
InChIInChI=1S/C8H13N2/c1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3/q+1
InChIKeyVFKDUWXGXIOSPV-UHFFFAOYSA-N
MW137.21 g/mol
LogP0.67
Rot. Bonds1

About dimethyl(2H-pyridin-1-ylmethylidene)azanium

dimethyl(2H-pyridin-1-ylmethylidene)azanium (PubChem CID 90694780) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is dimethyl(2H-pyridin-1-ylmethylidene)azanium.

Molecular Properties

Compound Namedimethyl(2H-pyridin-1-ylmethylidene)azanium
PubChem CID90694780
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Namedimethyl(2H-pyridin-1-ylmethylidene)azanium
SMILESC[N+](C)=CN1C=CC=CC1
InChIInChI=1S/C8H13N2/c1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3/q+1
InChIKeyVFKDUWXGXIOSPV-UHFFFAOYSA-N
XLogP0.67
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3,4-dihydropyrimidine
CID 19788969
1-Methyl-6-methylidene-1,6-dihydropyrimidine
CID 57831095
Pyrimido[1,6-a]azepine
CID 71346883
N,N'-bis[(e)-(1-pyridyl)methylene]-1,3-propanediamine
CID 171378066
1-methyl-4H-pyrimidine
CID 19759614
3-prop-2-enyl-4H-pyrimidine
CID 22448489
8H-pyrido[1,2-c]pyrimidine
CID 22560221
1-Methyl-1-prop-2-enylimidazol-1-ium
CID 23042760
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547
3-ethyl-1-methyl-4H-pyrimidin-3-ium
CID 23148574
1,3-dipropyl-4H-pyrimidin-3-ium
CID 23148585
3,3-dimethyl-4H-pyrimidin-3-ium
CID 53636451

Frequently Asked Questions

What is the IUPAC name of dimethyl(2H-pyridin-1-ylmethylidene)azanium?
The IUPAC name of dimethyl(2H-pyridin-1-ylmethylidene)azanium (CID 90694780) is dimethyl(2H-pyridin-1-ylmethylidene)azanium.
What is the SMILES notation for dimethyl(2H-pyridin-1-ylmethylidene)azanium?
The canonical SMILES for dimethyl(2H-pyridin-1-ylmethylidene)azanium is C[N+](C)=CN1C=CC=CC1.
What is the InChIKey of dimethyl(2H-pyridin-1-ylmethylidene)azanium?
The InChIKey is VFKDUWXGXIOSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2/c1-9(2)8-10-6-4-3-5-7-10/h3-6,8H,7H2,1-2H3/q+1.
What are the key properties of dimethyl(2H-pyridin-1-ylmethylidene)azanium?
dimethyl(2H-pyridin-1-ylmethylidene)azanium has a molecular weight of 137.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2H-pyridin-1-ylmethylidene)azanium is sourced from PubChem (CID 90694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).