1-ethenyl-2-methylbenzene;trimethylazanium

C12H20N+ — CID 18465530

IUPAC1-ethenyl-2-methylbenzene;trimethylazanium
SMILESC=Cc1ccccc1C.C[NH+](C)C
InChIInChI=1S/C9H10.C3H9N/c1-3-9-7-5-4-6-8(9)2;1-4(2)3/h3-7H,1H2,2H3;1-3H3/p+1
InChIKeyBMHMYYUIHBEPOB-UHFFFAOYSA-O
MW178.30 g/mol
LogP1.40
Rot. Bonds1

About 1-ethenyl-2-methylbenzene;trimethylazanium

1-ethenyl-2-methylbenzene;trimethylazanium (PubChem CID 18465530) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethenyl-2-methylbenzene;trimethylazanium.

Molecular Properties

Compound Name1-ethenyl-2-methylbenzene;trimethylazanium
PubChem CID18465530
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Name1-ethenyl-2-methylbenzene;trimethylazanium
SMILESC=Cc1ccccc1C.C[NH+](C)C
InChIInChI=1S/C9H10.C3H9N/c1-3-9-7-5-4-6-8(9)2;1-4(2)3/h3-7H,1H2,2H3;1-3H3/p+1
InChIKeyBMHMYYUIHBEPOB-UHFFFAOYSA-O
XLogP1.40
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylbenzene;trimethylazanium?
The IUPAC name of 1-ethenyl-2-methylbenzene;trimethylazanium (CID 18465530) is 1-ethenyl-2-methylbenzene;trimethylazanium.
What is the SMILES notation for 1-ethenyl-2-methylbenzene;trimethylazanium?
The canonical SMILES for 1-ethenyl-2-methylbenzene;trimethylazanium is C=Cc1ccccc1C.C[NH+](C)C.
What is the InChIKey of 1-ethenyl-2-methylbenzene;trimethylazanium?
The InChIKey is BMHMYYUIHBEPOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10.C3H9N/c1-3-9-7-5-4-6-8(9)2;1-4(2)3/h3-7H,1H2,2H3;1-3H3/p+1.
What are the key properties of 1-ethenyl-2-methylbenzene;trimethylazanium?
1-ethenyl-2-methylbenzene;trimethylazanium has a molecular weight of 178.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylbenzene;trimethylazanium is sourced from PubChem (CID 18465530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).