(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium

C11H14N+ — CID 138652916

IUPAC(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium
SMILESC=Cc1cc([N+](=C)C)ccc1C
InChIInChI=1S/C11H14N/c1-5-10-8-11(12(3)4)7-6-9(10)2/h5-8H,1,3H2,2,4H3/q+1
InChIKeyDKKRYDIXQLQFPQ-UHFFFAOYSA-N
MW160.24 g/mol
LogP2.61
Rot. Bonds2

About (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium

(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium (PubChem CID 138652916) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium
PubChem CID138652916
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium
SMILESC=Cc1cc([N+](=C)C)ccc1C
InChIInChI=1S/C11H14N/c1-5-10-8-11(12(3)4)7-6-9(10)2/h5-8H,1,3H2,2,4H3/q+1
InChIKeyDKKRYDIXQLQFPQ-UHFFFAOYSA-N
XLogP2.61
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethenyl-1,4,7-trimethylnaphthalene
CID 123671430
2-(3-ethenyl-4-methylphenyl)prop-2-enenitrile
CID 134513298
2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
CID 142106307
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
1-(3-ethenyl-4-methylphenyl)piperidine
CID 174639295
(E)-3-(3-ethenyl-4-methylphenyl)but-2-enal
CID 20652501
1-tert-butyl-4-ethenylbenzene;2-ethenyl-1,4-dimethylbenzene
CID 19908653
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium?
The IUPAC name of (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium (CID 138652916) is (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium.
What is the SMILES notation for (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium?
The canonical SMILES for (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium is C=Cc1cc([N+](=C)C)ccc1C.
What is the InChIKey of (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium?
The InChIKey is DKKRYDIXQLQFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-5-10-8-11(12(3)4)7-6-9(10)2/h5-8H,1,3H2,2,4H3/q+1.
What are the key properties of (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium?
(3-ethenyl-4-methylphenyl)-methyl-methylideneazanium has a molecular weight of 160.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-4-methylphenyl)-methyl-methylideneazanium is sourced from PubChem (CID 138652916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).